2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C8H7Cl2N3O — CID 117272981

IUPAC2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCN1C(=O)CCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H7Cl2N3O/c1-13-5(14)3-2-4-6(9)11-8(10)12-7(4)13/h2-3H2,1H3
InChIKeyDXJUDGMQGYPUSJ-UHFFFAOYSA-N
MW232.07 g/mol
LogP1.69
Rot. Bonds

About 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 117272981) has the molecular formula C8H7Cl2N3O and a molecular weight of 232.07 g/mol. Its IUPAC name is 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID117272981
Molecular FormulaC8H7Cl2N3O
Molecular Weight232.07 g/mol
Exact Mass231.00
IUPAC Name2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCN1C(=O)CCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H7Cl2N3O/c1-13-5(14)3-2-4-6(9)11-8(10)12-7(4)13/h2-3H2,1H3
InChIKeyDXJUDGMQGYPUSJ-UHFFFAOYSA-N
XLogP1.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 59421449
(R)-4-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666575
4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666579
(R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666581
4-chloro-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042485
(5R)-4-chloro-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042550
(5S)-4-chloro-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042553
4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042617
(5S)-4-chloro-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042641
4-Chloro-5,6-dihydro-5,5-dimethylpyrido [2,3-d]pyrimidin-7(8h)-one
CID 129732093
tert-Butyl 2,4-dichloro-6,7-dihydropyrido[2,3-d]pyrimidine-8(5H)-carboxylate
CID 86346442
(R)-4-Chloro-5-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666564

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 117272981) is 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CN1C(=O)CCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DXJUDGMQGYPUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O/c1-13-5(14)3-2-4-6(9)11-8(10)12-7(4)13/h2-3H2,1H3.
What are the key properties of 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 232.07 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 117272981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).