(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide

C9H12N4O2 — CID 136828485

IUPAC(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
SMILESNC(=O)[C@@H]1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C9H12N4O2/c10-7(14)4-1-2-6-5(3-4)8(15)13-9(11)12-6/h4H,1-3H2,(H2,10,14)(H3,11,12,13,15)/t4-/m1/s1
InChIKeyOKOYNRQNJDSYAI-SCSAIBSYSA-N
MW208.22 g/mol
LogP-1.06
Rot. Bonds1

About (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide

(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide (PubChem CID 136828485) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
PubChem CID136828485
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
SMILESNC(=O)[C@@H]1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C9H12N4O2/c10-7(14)4-1-2-6-5(3-4)8(15)13-9(11)12-6/h4H,1-3H2,(H2,10,14)(H3,11,12,13,15)/t4-/m1/s1
InChIKeyOKOYNRQNJDSYAI-SCSAIBSYSA-N
XLogP-1.06
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
The IUPAC name of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide (CID 136828485) is (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide.
What is the SMILES notation for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
The canonical SMILES for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide is NC(=O)[C@@H]1CCc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
The InChIKey is OKOYNRQNJDSYAI-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-7(14)4-1-2-6-5(3-4)8(15)13-9(11)12-6/h4H,1-3H2,(H2,10,14)(H3,11,12,13,15)/t4-/m1/s1.
What are the key properties of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide is sourced from PubChem (CID 136828485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).