6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

C40H47ClN12 — CID 176671118

IUPAC6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Cl)c(-c2ccccc2)nc2nc(NC3CCN(C)CC3)nc(N)c12.Cc1cccc(-c2ccc3c(N)nc(NC4CCN(C)CC4)nc3n2)c1
InChIInChI=1S/C20H23ClN6.C20H24N6/c1-12-15-18(22)25-20(23-14-8-10-27(2)11-9-14)26-19(15)24-17(16(12)21)13-6-4-3-5-7-13;1-13-4-3-5-14(12-13)17-7-6-16-18(21)24-20(25-19(16)23-17)22-15-8-10-26(2)11-9-15/h3-7,14H,8-11H2,1-2H3,(H3,22,23,24,25,26);3-7,12,15H,8-11H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyPDBSIAJQALNTFO-UHFFFAOYSA-N
MW731.35 g/mol
LogP6.83
Rot. Bonds6

About 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671118) has the molecular formula C40H47ClN12 and a molecular weight of 731.35 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671118
Molecular FormulaC40H47ClN12
Molecular Weight731.35 g/mol
Exact Mass730.37
IUPAC Name6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Cl)c(-c2ccccc2)nc2nc(NC3CCN(C)CC3)nc(N)c12.Cc1cccc(-c2ccc3c(N)nc(NC4CCN(C)CC4)nc3n2)c1
InChIInChI=1S/C20H23ClN6.C20H24N6/c1-12-15-18(22)25-20(23-14-8-10-27(2)11-9-14)26-19(15)24-17(16(12)21)13-6-4-3-5-7-13;1-13-4-3-5-14(12-13)17-7-6-16-18(21)24-20(25-19(16)23-17)22-15-8-10-26(2)11-9-15/h3-7,14H,8-11H2,1-2H3,(H3,22,23,24,25,26);3-7,12,15H,8-11H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyPDBSIAJQALNTFO-UHFFFAOYSA-N
XLogP6.83
TPSA159.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.35
LogP ≤ 56.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido[2,3-B][1,6]naphthyridine-3-carbonitrile
CID 53322745
N'-(2-{4-[bis-(4-chlorophenyl)methyl]piperazin-1-ylmethyl}quinazolin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 12001922
2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-N-isopropylpyrido[2,3-d]pyrimidin-4-amine
CID 25095275
2-Tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-4-(piperazin-1-yl)pyrido[2,3-d]pyrimidine
CID 25095533
5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10004031
N-cyclohexyl-7-methyl-2-phenyl-1,8-naphthyridin-4-amine
CID 10757861
N-[(1S)-1-(4-chlorophenyl)ethyl]-6-[3-(5-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 57396049
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(4-quinolin-2-ylbutyl)ethane-1,2-diamine
CID 71602694
7-(2-chlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983472
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine
CID 57441960
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine
CID 57441961

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671118) is 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1c(Cl)c(-c2ccccc2)nc2nc(NC3CCN(C)CC3)nc(N)c12.Cc1cccc(-c2ccc3c(N)nc(NC4CCN(C)CC4)nc3n2)c1.
What is the InChIKey of 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PDBSIAJQALNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6.C20H24N6/c1-12-15-18(22)25-20(23-14-8-10-27(2)11-9-14)26-19(15)24-17(16(12)21)13-6-4-3-5-7-13;1-13-4-3-5-14(12-13)17-7-6-16-18(21)24-20(25-19(16)23-17)22-15-8-10-26(2)11-9-15/h3-7,14H,8-11H2,1-2H3,(H3,22,23,24,25,26);3-7,12,15H,8-11H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 731.35 g/mol, XLogP of 6.83, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-N-(1-methylpiperidin-4-yl)-7-phenylpyrido[2,3-d]pyrimidine-2,4-diamine;7-(3-methylphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).