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

C15H17N3S — CID 73294298

IUPACN-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSc1ccc(N(C)c2ncnc3c2CCC3)cc1
InChIInChI=1S/C15H17N3S/c1-18(11-6-8-12(19-2)9-7-11)15-13-4-3-5-14(13)16-10-17-15/h6-10H,3-5H2,1-2H3
InChIKeyFUAJAMCJNHEODS-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.46
Rot. Bonds3

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

N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 73294298) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID73294298
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSc1ccc(N(C)c2ncnc3c2CCC3)cc1
InChIInChI=1S/C15H17N3S/c1-18(11-6-8-12(19-2)9-7-11)15-13-4-3-5-14(13)16-10-17-15/h6-10H,3-5H2,1-2H3
InChIKeyFUAJAMCJNHEODS-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 73294298) is N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CSc1ccc(N(C)c2ncnc3c2CCC3)cc1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is FUAJAMCJNHEODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-18(11-6-8-12(19-2)9-7-11)15-13-4-3-5-14(13)16-10-17-15/h6-10H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 73294298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).