2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one

C7H5ClN4O — CID 135741629

IUPAC2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESNc1nc2ccc(Cl)nc2c(=O)[nH]1
InChIInChI=1S/C7H5ClN4O/c8-4-2-1-3-5(11-4)6(13)12-7(9)10-3/h1-2H,(H3,9,10,12,13)
InChIKeyQDLDKZFCEXVVSU-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.55
Rot. Bonds

About 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one

2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135741629) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID135741629
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESNc1nc2ccc(Cl)nc2c(=O)[nH]1
InChIInChI=1S/C7H5ClN4O/c8-4-2-1-3-5(11-4)6(13)12-7(9)10-3/h1-2H,(H3,9,10,12,13)
InChIKeyQDLDKZFCEXVVSU-UHFFFAOYSA-N
XLogP0.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
CID 135604539
2-amino-6-ethynyl-3H-quinazolin-4-one
CID 163214057
5-amino-3-(4-chlorophenyl)-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135400697
2-amino-5,8-dihydroxy-3H-quinazolin-4-one
CID 137175521
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135967045
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-amino-7-fluoro-3H-quinazolin-4-one;vanadium
CID 160605565
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-3H-quinazolin-4-one;methanedithioic acid
CID 175778802
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152
8-bromo-2-chloro-6H-1,6-naphthyridin-7-one
CID 155674873

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one (CID 135741629) is 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one is Nc1nc2ccc(Cl)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QDLDKZFCEXVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-4-2-1-3-5(11-4)6(13)12-7(9)10-3/h1-2H,(H3,9,10,12,13).
What are the key properties of 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one?
2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 196.60 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135741629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).