N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H19N3S — CID 122628499

IUPACN,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H19N3S/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3
InChIKeyTWQXMRJSCLJOPP-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.76
Rot. Bonds3

About N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 122628499) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID122628499
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H19N3S/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3
InChIKeyTWQXMRJSCLJOPP-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 122628499) is N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CSc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is TWQXMRJSCLJOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 122628499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).