2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one

C22H19FN4O — CID 23434569

IUPAC2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2)cc2cnc(NCc3ccccc3)nc21
InChIInChI=1S/C22H19FN4O/c1-27-20-18(12-17(21(27)28)11-15-7-9-19(23)10-8-15)14-25-22(26-20)24-13-16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,24,25,26)
InChIKeyXTUHDLVMBRPHGH-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.67
Rot. Bonds5

About 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one

2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434569) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID23434569
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2)cc2cnc(NCc3ccccc3)nc21
InChIInChI=1S/C22H19FN4O/c1-27-20-18(12-17(21(27)28)11-15-7-9-19(23)10-8-15)14-25-22(26-20)24-13-16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,24,25,26)
InChIKeyXTUHDLVMBRPHGH-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PD-180970
CID 5311104
Triflumezopyrim
CID 57414497
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
2-amino-6-(2,6-dichlorophenyl)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328626

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 23434569) is 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Cc2ccc(F)cc2)cc2cnc(NCc3ccccc3)nc21.
What is the InChIKey of 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XTUHDLVMBRPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-27-20-18(12-17(21(27)28)11-15-7-9-19(23)10-8-15)14-25-22(26-20)24-13-16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,24,25,26).
What are the key properties of 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 374.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).