6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C33H31Cl2N7O5S — CID 158854556

IUPAC6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC(C)(C)CO)nc21.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C18H19ClN4O2.C15H12ClN3O3S/c1-18(2,10-24)22-17-20-9-11-8-13(12-6-4-5-7-14(12)19)16(25)23(3)15(11)21-17;1-19-13-9(8-17-15(18-13)23(2,21)22)7-11(14(19)20)10-5-3-4-6-12(10)16/h4-9,24H,10H2,1-3H3,(H,20,21,22);3-8H,1-2H3
InChIKeyIZWMWQFCRIMCNW-UHFFFAOYSA-N
MW708.63 g/mol
LogP4.88
Rot. Bonds6

About 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158854556) has the molecular formula C33H31Cl2N7O5S and a molecular weight of 708.63 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID158854556
Molecular FormulaC33H31Cl2N7O5S
Molecular Weight708.63 g/mol
Exact Mass707.15
IUPAC Name6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC(C)(C)CO)nc21.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C18H19ClN4O2.C15H12ClN3O3S/c1-18(2,10-24)22-17-20-9-11-8-13(12-6-4-5-7-14(12)19)16(25)23(3)15(11)21-17;1-19-13-9(8-17-15(18-13)23(2,21)22)7-11(14(19)20)10-5-3-4-6-12(10)16/h4-9,24H,10H2,1-3H3,(H,20,21,22);3-8H,1-2H3
InChIKeyIZWMWQFCRIMCNW-UHFFFAOYSA-N
XLogP4.88
TPSA161.96 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

(3S)-3-amino-2-methylbutan-2-ol;6-(2-chlorophenyl)-2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;methane
CID 159279031
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
6-(2-chlorophenyl)-8-methyl-2-(3-methylsulfonylbutan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162314511
6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382290
6-(2-chlorophenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 135381982
2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142118156
6-(2-chlorophenyl)-2-(3-ethylsulfanylpropylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 163954555
6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)
CID 158256640
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propanal
CID 91241360
2-amino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354765
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methylpentanal
CID 91429644

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 158854556) is 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC(C)(C)CO)nc21.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IZWMWQFCRIMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2.C15H12ClN3O3S/c1-18(2,10-24)22-17-20-9-11-8-13(12-6-4-5-7-14(12)19)16(25)23(3)15(11)21-17;1-19-13-9(8-17-15(18-13)23(2,21)22)7-11(14(19)20)10-5-3-4-6-12(10)16/h4-9,24H,10H2,1-3H3,(H,20,21,22);3-8H,1-2H3.
What are the key properties of 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 708.63 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158854556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).