1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C15H10ClF3N4O — CID 147416416

IUPAC1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H10ClF3N4O/c1-20-12-8-6-7-11(15(17,18)19)21-13(8)23(14(24)22-12)10-5-3-2-4-9(10)16/h2-7H,1H3,(H,20,22,24)
InChIKeyDRPUHIIWNZBMQN-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.49
Rot. Bonds2

About 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 147416416) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID147416416
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H10ClF3N4O/c1-20-12-8-6-7-11(15(17,18)19)21-13(8)23(14(24)22-12)10-5-3-2-4-9(10)16/h2-7H,1H3,(H,20,22,24)
InChIKeyDRPUHIIWNZBMQN-UHFFFAOYSA-N
XLogP3.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mat2A-IN-9
CID 153608878
1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-benzylamino)-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-2-one
CID 44352280
4-(3-Chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 162674311
2-((1-(2-Chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)amino)acetamide
CID 146709930
1-(2-chlorophenyl)-4-morpholin-4-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 146966696
1-(2-chlorophenyl)-4-[(3-hydroxy-propyl)amino]-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 147493520
1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 147808625
1-(2-chlorophenyl)-4-[(3-methoxy-propyl)amino]-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 148169320
1-(2-chlorophenyl)-4-((cyclopropyl-methypamino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 148514727
4-(Methylamino)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148686497
1-(2-chlorophenyl)-4-(pyrrolictin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 149227941
1-(2-chlorophenyl)-4-((2-methylpyridin-4-yl)amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 149530632

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 147416416) is 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CNc1nc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is DRPUHIIWNZBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-20-12-8-6-7-11(15(17,18)19)21-13(8)23(14(24)22-12)10-5-3-2-4-9(10)16/h2-7H,1H3,(H,20,22,24).
What are the key properties of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 354.72 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 147416416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).