N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H13Cl2N3S — CID 134113531

IUPACN-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSc1nc2c(c(Nc3ccc(Cl)c(Cl)c3)n1)CCC2
InChIInChI=1S/C14H13Cl2N3S/c1-20-14-18-12-4-2-3-9(12)13(19-14)17-8-5-6-10(15)11(16)7-8/h5-7H,2-4H2,1H3,(H,17,18,19)
InChIKeyLNHFKUWXVWDACX-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.74
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 134113531) has the molecular formula C14H13Cl2N3S and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID134113531
Molecular FormulaC14H13Cl2N3S
Molecular Weight326.25 g/mol
Exact Mass325.02
IUPAC NameN-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSc1nc2c(c(Nc3ccc(Cl)c(Cl)c3)n1)CCC2
InChIInChI=1S/C14H13Cl2N3S/c1-20-14-18-12-4-2-3-9(12)13(19-14)17-8-5-6-10(15)11(16)7-8/h5-7H,2-4H2,1H3,(H,17,18,19)
InChIKeyLNHFKUWXVWDACX-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101803
N-(3-fluorophenyl)-2-methylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102304
5-bromo-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54605390
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
N-(3,4-dichlorophenyl)-2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4004795
N-(3-methoxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101821
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
7-(3-chloro-2-pyridinyl)-2-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 12004364
6-benzyl-N-(4-tert-butylphenyl)-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346481
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 3658778
N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 24737637
N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 135170065

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 134113531) is N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CSc1nc2c(c(Nc3ccc(Cl)c(Cl)c3)n1)CCC2.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LNHFKUWXVWDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S/c1-20-14-18-12-4-2-3-9(12)13(19-14)17-8-5-6-10(15)11(16)7-8/h5-7H,2-4H2,1H3,(H,17,18,19).
What are the key properties of N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 326.25 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 134113531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).