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

C18H20ClN3 — CID 15886985

IUPAC2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1cccc(-c2nc3c(c(NC4CCCC4)n2)CCC3)c1
InChIInChI=1S/C18H20ClN3/c19-13-6-3-5-12(11-13)17-21-16-10-4-9-15(16)18(22-17)20-14-7-1-2-8-14/h3,5-6,11,14H,1-2,4,7-10H2,(H,20,21,22)
InChIKeyXRTIEINWNWWLLV-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.64
Rot. Bonds3

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

2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 15886985) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID15886985
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1cccc(-c2nc3c(c(NC4CCCC4)n2)CCC3)c1
InChIInChI=1S/C18H20ClN3/c19-13-6-3-5-12(11-13)17-21-16-10-4-9-15(16)18(22-17)20-14-7-1-2-8-14/h3,5-6,11,14H,1-2,4,7-10H2,(H,20,21,22)
InChIKeyXRTIEINWNWWLLV-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 15886985) is 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Clc1cccc(-c2nc3c(c(NC4CCCC4)n2)CCC3)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is XRTIEINWNWWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c19-13-6-3-5-12(11-13)17-21-16-10-4-9-15(16)18(22-17)20-14-7-1-2-8-14/h3,5-6,11,14H,1-2,4,7-10H2,(H,20,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 313.83 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 15886985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).