2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride

C7H7ClN4O — CID 171477205

IUPAC2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride
SMILESCl.Nc1ncc2[nH]c(=O)ccc2n1
InChIInChI=1S/C7H6N4O.ClH/c8-7-9-3-5-4(11-7)1-2-6(12)10-5;/h1-3H,(H,10,12)(H2,8,9,11);1H
InChIKeyVOBFYNIQAYYXGB-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.32
Rot. Bonds

About 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride

2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride (PubChem CID 171477205) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride
PubChem CID171477205
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride
SMILESCl.Nc1ncc2[nH]c(=O)ccc2n1
InChIInChI=1S/C7H6N4O.ClH/c8-7-9-3-5-4(11-7)1-2-6(12)10-5;/h1-3H,(H,10,12)(H2,8,9,11);1H
InChIKeyVOBFYNIQAYYXGB-UHFFFAOYSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1H-1,7-naphthyridin-2-one
CID 15592373
6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 140917315
7-(difluoromethoxy)-1H-1,5-naphthyridin-2-one
CID 130303543
2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one
CID 168977195
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219
6-oxo-5H-1,5-naphthyridine-3-carbonitrile
CID 68864381
6-oxo-5H-1,5-naphthyridine-3-carboxylic acid
CID 83679759
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175953367
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
1H-quinoxalin-2-one;dihydrochloride
CID 141445979
5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride
CID 178200378

Frequently Asked Questions

What is the IUPAC name of 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride (CID 171477205) is 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride is Cl.Nc1ncc2[nH]c(=O)ccc2n1.
What is the InChIKey of 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride?
The InChIKey is VOBFYNIQAYYXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.ClH/c8-7-9-3-5-4(11-7)1-2-6(12)10-5;/h1-3H,(H,10,12)(H2,8,9,11);1H.
What are the key properties of 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride?
2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride has a molecular weight of 198.61 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 171477205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).