2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C21H24ClN5O — CID 142118156

IUPAC2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NCC3CCC(N)CC3)nc21
InChIInChI=1S/C21H24ClN5O/c1-27-19-14(10-17(20(27)28)16-4-2-3-5-18(16)22)12-25-21(26-19)24-11-13-6-8-15(23)9-7-13/h2-5,10,12-13,15H,6-9,11,23H2,1H3,(H,24,25,26)
InChIKeyHYCHNFWDRVQWAE-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.58
Rot. Bonds4

About 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 142118156) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID142118156
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NCC3CCC(N)CC3)nc21
InChIInChI=1S/C21H24ClN5O/c1-27-19-14(10-17(20(27)28)16-4-2-3-5-18(16)22)12-25-21(26-19)24-11-13-6-8-15(23)9-7-13/h2-5,10,12-13,15H,6-9,11,23H2,1H3,(H,24,25,26)
InChIKeyHYCHNFWDRVQWAE-UHFFFAOYSA-N
XLogP3.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
6-(2-chlorophenyl)-2-(3-ethylsulfanylpropylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 163954555
2-amino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354765
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
6-(2-chlorophenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 135381982
[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
CID 162319048
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propanal
CID 91241360
6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 160650065
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methylpentanal
CID 91429644
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
6-(2-chlorophenyl)-8-methyl-2-(3-methylsulfonylbutan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162314511
6-(2-chlorophenyl)-2-[[3-(hydroxymethyl)-3-methyl-1,5-dioxaspiro[5.5]undecan-9-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 142118156) is 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NCC3CCC(N)CC3)nc21.
What is the InChIKey of 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HYCHNFWDRVQWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-27-19-14(10-17(20(27)28)16-4-2-3-5-18(16)22)12-25-21(26-19)24-11-13-6-8-15(23)9-7-13/h2-5,10,12-13,15H,6-9,11,23H2,1H3,(H,24,25,26).
What are the key properties of 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 397.91 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142118156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).