[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol

C15H18N4O — CID 56989083

IUPAC[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol
SMILESNc1nc(N)c2c(n1)CCC(c1ccc(CO)cc1)C2
InChIInChI=1S/C15H18N4O/c16-14-12-7-11(5-6-13(12)18-15(17)19-14)10-3-1-9(8-20)2-4-10/h1-4,11,20H,5-8H2,(H4,16,17,18,19)
InChIKeyWITONQAYSBVIJO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.41
Rot. Bonds2

About [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol

[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol (PubChem CID 56989083) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol
PubChem CID56989083
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol
SMILESNc1nc(N)c2c(n1)CCC(c1ccc(CO)cc1)C2
InChIInChI=1S/C15H18N4O/c16-14-12-7-11(5-6-13(12)18-15(17)19-14)10-3-1-9(8-20)2-4-10/h1-4,11,20H,5-8H2,(H4,16,17,18,19)
InChIKeyWITONQAYSBVIJO-UHFFFAOYSA-N
XLogP1.41
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol?
The IUPAC name of [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol (CID 56989083) is [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol.
What is the SMILES notation for [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol?
The canonical SMILES for [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol is Nc1nc(N)c2c(n1)CCC(c1ccc(CO)cc1)C2.
What is the InChIKey of [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol?
The InChIKey is WITONQAYSBVIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14-12-7-11(5-6-13(12)18-15(17)19-14)10-3-1-9(8-20)2-4-10/h1-4,11,20H,5-8H2,(H4,16,17,18,19).
What are the key properties of [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol?
[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol has a molecular weight of 270.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol is sourced from PubChem (CID 56989083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).