N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C23H25ClN4S — CID 139973797

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCCCc1ncc2c(n1)N(C)CCC2Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4S/c1-3-6-22-25-15-18-19(13-14-28(2)23(18)27-22)26-20-7-4-5-8-21(20)29-17-11-9-16(24)10-12-17/h4-5,7-12,15,19,26H,3,6,13-14H2,1-2H3
InChIKeyZMPDGTAYAJIDAO-UHFFFAOYSA-N
MW425.00 g/mol
LogP6.23
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973797) has the molecular formula C23H25ClN4S and a molecular weight of 425.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973797
Molecular FormulaC23H25ClN4S
Molecular Weight425.00 g/mol
Exact Mass424.15
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCCCc1ncc2c(n1)N(C)CCC2Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4S/c1-3-6-22-25-15-18-19(13-14-28(2)23(18)27-22)26-20-7-4-5-8-21(20)29-17-11-9-16(24)10-12-17/h4-5,7-12,15,19,26H,3,6,13-14H2,1-2H3
InChIKeyZMPDGTAYAJIDAO-UHFFFAOYSA-N
XLogP6.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973773
N-[4-(4-chlorophenoxy)phenyl]-2-ethyl-9-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973870
N-[4-(4-chlorophenoxy)phenyl]-2,9-diethyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973630
N-[3-(4-chlorophenyl)cyclobutyl]-2-ethylsulfanylaniline
CID 63453439
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 52909637
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19527008
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19264116
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257553
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 1-methylsulfonylpyrrolidine-2-carboxylate
CID 55359156
3-(4-chlorophenyl)sulfanyl-N-ethyl-2-nitroaniline
CID 80888370
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[methyl-(1-oxothian-4-yl)amino]acetamide
CID 75534068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973797) is N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is CCCc1ncc2c(n1)N(C)CCC2Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is ZMPDGTAYAJIDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4S/c1-3-6-22-25-15-18-19(13-14-28(2)23(18)27-22)26-20-7-4-5-8-21(20)29-17-11-9-16(24)10-12-17/h4-5,7-12,15,19,26H,3,6,13-14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 425.00 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).