6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C18H19ClN4OS — CID 23551769

IUPAC6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(-c3ccccc3Cl)c(=O)n(NCC(C)C)c2n1
InChIInChI=1S/C18H19ClN4OS/c1-11(2)9-21-23-16-12(10-20-18(22-16)25-3)8-14(17(23)24)13-6-4-5-7-15(13)19/h4-8,10-11,21H,9H2,1-3H3
InChIKeyADKYIHMEXIWUDE-UHFFFAOYSA-N
MW374.90 g/mol
LogP4.03
Rot. Bonds5

About 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 23551769) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID23551769
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(-c3ccccc3Cl)c(=O)n(NCC(C)C)c2n1
InChIInChI=1S/C18H19ClN4OS/c1-11(2)9-21-23-16-12(10-20-18(22-16)25-3)8-14(17(23)24)13-6-4-5-7-15(13)19/h4-8,10-11,21H,9H2,1-3H3
InChIKeyADKYIHMEXIWUDE-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;ethane
CID 142118172
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 102178580
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methylpentanal
CID 91429644
6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135381338
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]propanal
CID 91241360
8-benzyl-6-(4-tert-butylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 102178599
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
6-(2-chlorophenyl)-2-(3-ethylsulfanylpropylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 163954555
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
CID 142923569

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 23551769) is 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(-c3ccccc3Cl)c(=O)n(NCC(C)C)c2n1.
What is the InChIKey of 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ADKYIHMEXIWUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-11(2)9-21-23-16-12(10-20-18(22-16)25-3)8-14(17(23)24)13-6-4-5-7-15(13)19/h4-8,10-11,21H,9H2,1-3H3.
What are the key properties of 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 374.90 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23551769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).