8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride

C8H8ClN3O — CID 175780838

IUPAC8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.Cn1c(=O)ccc2cncnc21
InChIInChI=1S/C8H7N3O.ClH/c1-11-7(12)3-2-6-4-9-5-10-8(6)11;/h2-5H,1H3;1H
InChIKeyDTWUDUJCBLSWGT-UHFFFAOYSA-N
MW197.63 g/mol
LogP0.75
Rot. Bonds

About 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride

8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 175780838) has the molecular formula C8H8ClN3O and a molecular weight of 197.63 g/mol. Its IUPAC name is 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID175780838
Molecular FormulaC8H8ClN3O
Molecular Weight197.63 g/mol
Exact Mass197.04
IUPAC Name8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.Cn1c(=O)ccc2cncnc21
InChIInChI=1S/C8H7N3O.ClH/c1-11-7(12)3-2-6-4-9-5-10-8(6)11;/h2-5H,1H3;1H
InChIKeyDTWUDUJCBLSWGT-UHFFFAOYSA-N
XLogP0.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-Ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 118146747
1-[4-[(8-Methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
CID 118146764
2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
2-[(4-Aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146891
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 14
CID 5330200
2-(methylthio)pyrido(2,3-d)pyrimidin-7(8H)-one
CID 1234763

Frequently Asked Questions

What is the IUPAC name of 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 175780838) is 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride is Cl.Cn1c(=O)ccc2cncnc21.
What is the InChIKey of 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is DTWUDUJCBLSWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.ClH/c1-11-7(12)3-2-6-4-9-5-10-8(6)11;/h2-5H,1H3;1H.
What are the key properties of 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride?
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 197.63 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 175780838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).