2-amino-4-(hydroxymethyl)quinazolin-8-ol

C9H9N3O2 — CID 141051209

IUPAC2-amino-4-(hydroxymethyl)quinazolin-8-ol
SMILESNc1nc(CO)c2cccc(O)c2n1
InChIInChI=1S/C9H9N3O2/c10-9-11-6(4-13)5-2-1-3-7(14)8(5)12-9/h1-3,13-14H,4H2,(H2,10,11,12)
InChIKeyGODFQQWRXQQXFL-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.41
Rot. Bonds1

About 2-amino-4-(hydroxymethyl)quinazolin-8-ol

2-amino-4-(hydroxymethyl)quinazolin-8-ol (PubChem CID 141051209) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-4-(hydroxymethyl)quinazolin-8-ol.

Molecular Properties

Compound Name2-amino-4-(hydroxymethyl)quinazolin-8-ol
PubChem CID141051209
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-amino-4-(hydroxymethyl)quinazolin-8-ol
SMILESNc1nc(CO)c2cccc(O)c2n1
InChIInChI=1S/C9H9N3O2/c10-9-11-6(4-13)5-2-1-3-7(14)8(5)12-9/h1-3,13-14H,4H2,(H2,10,11,12)
InChIKeyGODFQQWRXQQXFL-UHFFFAOYSA-N
XLogP0.41
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hydroxymethyl)quinazolin-8-ol?
The IUPAC name of 2-amino-4-(hydroxymethyl)quinazolin-8-ol (CID 141051209) is 2-amino-4-(hydroxymethyl)quinazolin-8-ol.
What is the SMILES notation for 2-amino-4-(hydroxymethyl)quinazolin-8-ol?
The canonical SMILES for 2-amino-4-(hydroxymethyl)quinazolin-8-ol is Nc1nc(CO)c2cccc(O)c2n1.
What is the InChIKey of 2-amino-4-(hydroxymethyl)quinazolin-8-ol?
The InChIKey is GODFQQWRXQQXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-9-11-6(4-13)5-2-1-3-7(14)8(5)12-9/h1-3,13-14H,4H2,(H2,10,11,12).
What are the key properties of 2-amino-4-(hydroxymethyl)quinazolin-8-ol?
2-amino-4-(hydroxymethyl)quinazolin-8-ol has a molecular weight of 191.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hydroxymethyl)quinazolin-8-ol is sourced from PubChem (CID 141051209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).