N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine

C17H27N3 — CID 62745618

IUPACN-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(C2CCCC2)nc(C)c1CCCNC1CC1
InChIInChI=1S/C17H27N3/c1-12-16(8-5-11-18-15-9-10-15)13(2)20-17(19-12)14-6-3-4-7-14/h14-15,18H,3-11H2,1-2H3
InChIKeyBFQAPBOLVMCDCR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.44
Rot. Bonds6

About N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine

N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine (PubChem CID 62745618) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
PubChem CID62745618
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(C2CCCC2)nc(C)c1CCCNC1CC1
InChIInChI=1S/C17H27N3/c1-12-16(8-5-11-18-15-9-10-15)13(2)20-17(19-12)14-6-3-4-7-14/h14-15,18H,3-11H2,1-2H3
InChIKeyBFQAPBOLVMCDCR-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine (CID 62745618) is N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine is Cc1nc(C2CCCC2)nc(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine?
The InChIKey is BFQAPBOLVMCDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-16(8-5-11-18-15-9-10-15)13(2)20-17(19-12)14-6-3-4-7-14/h14-15,18H,3-11H2,1-2H3.
What are the key properties of N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine?
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62745618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).