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

C16H19N3 — CID 73294109

IUPACN,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H19N3/c1-11-7-9-13(10-8-11)19(3)16-14-5-4-6-15(14)17-12(2)18-16/h7-10H,4-6H2,1-3H3
InChIKeyLHLBJLAHWWMQAR-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.35
Rot. Bonds2

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

N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 73294109) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID73294109
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H19N3/c1-11-7-9-13(10-8-11)19(3)16-14-5-4-6-15(14)17-12(2)18-16/h7-10H,4-6H2,1-3H3
InChIKeyLHLBJLAHWWMQAR-UHFFFAOYSA-N
XLogP3.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 73294109) is N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LHLBJLAHWWMQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-7-9-13(10-8-11)19(3)16-14-5-4-6-15(14)17-12(2)18-16/h7-10H,4-6H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 73294109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).