4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H8ClN3O — CID 154663231

IUPAC4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1Cc2c(Cl)ncnc2NC1=O
InChIInChI=1S/C8H8ClN3O/c1-4-2-5-6(9)10-3-11-7(5)12-8(4)13/h3-4H,2H2,1H3,(H,10,11,12,13)
InChIKeyBOSBQIWAIOSYRB-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.26
Rot. Bonds

About 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154663231) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID154663231
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1Cc2c(Cl)ncnc2NC1=O
InChIInChI=1S/C8H8ClN3O/c1-4-2-5-6(9)10-3-11-7(5)12-8(4)13/h3-4H,2H2,1H3,(H,10,11,12,13)
InChIKeyBOSBQIWAIOSYRB-UHFFFAOYSA-N
XLogP1.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 154663231) is 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC1Cc2c(Cl)ncnc2NC1=O.
What is the InChIKey of 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BOSBQIWAIOSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-4-2-5-6(9)10-3-11-7(5)12-8(4)13/h3-4H,2H2,1H3,(H,10,11,12,13).
What are the key properties of 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 197.62 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154663231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).