[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride

C22H24Cl2N4O4 — CID 162319048

IUPAC[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
SMILESCOC(=O)OC1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)CC1.Cl
InChIInChI=1S/C22H23ClN4O4.ClH/c1-27-19-13(11-17(20(27)28)16-5-3-4-6-18(16)23)12-24-21(26-19)25-14-7-9-15(10-8-14)31-22(29)30-2;/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,25,26);1H
InChIKeyUYBDNAJOQLIDCU-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.58
Rot. Bonds4

About [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride

[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride (PubChem CID 162319048) has the molecular formula C22H24Cl2N4O4 and a molecular weight of 479.36 g/mol. Its IUPAC name is [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride.

Molecular Properties

Compound Name[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
PubChem CID162319048
Molecular FormulaC22H24Cl2N4O4
Molecular Weight479.36 g/mol
Exact Mass478.12
IUPAC Name[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
SMILESCOC(=O)OC1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)CC1.Cl
InChIInChI=1S/C22H23ClN4O4.ClH/c1-27-19-13(11-17(20(27)28)16-5-3-4-6-18(16)23)12-24-21(26-19)25-14-7-9-15(10-8-14)31-22(29)30-2;/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,25,26);1H
InChIKeyUYBDNAJOQLIDCU-UHFFFAOYSA-N
XLogP4.58
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride with MolForge

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Related Compounds

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-(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
8-amino-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551749
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
sodium 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetic acid
CID 159289096
2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142118156
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551682
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
2-[(4,4-dihydroxycyclohexyl)amino]-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 59913222
methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 23551841
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propanal
CID 91241360

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride?
The IUPAC name of [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride (CID 162319048) is [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride.
What is the SMILES notation for [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride?
The canonical SMILES for [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride is COC(=O)OC1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)CC1.Cl.
What is the InChIKey of [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride?
The InChIKey is UYBDNAJOQLIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4.ClH/c1-27-19-13(11-17(20(27)28)16-5-3-4-6-18(16)23)12-24-21(26-19)25-14-7-9-15(10-8-14)31-22(29)30-2;/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,25,26);1H.
What are the key properties of [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride?
[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride has a molecular weight of 479.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride is sourced from PubChem (CID 162319048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).