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Chemical ID: 6620735
Chemical ID:
6620735
Name [?]:
2-cyclopropyl-6-phenyl-pyrimidin-4-ol
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)C3CC3)O
InChi [?]:
InChI=1/C13H12N2O/c16-12-8-11(9-4-2-1-3-5-9)14-13(15-12)10-6-7-10/h1-5,8,10H,6-7H2,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,15,8,4,13,7,9,11,12,10,16/E:(2,3)(4,5)(6,7)/rA:16nCCCCCCCCCNCNCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s13s14;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96867 |
Area: | 399.833 |
Solvation: | -2.02715 |
Coulombic: | -28.6569 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.6 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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