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

C13H18ClN3 — CID 65029507

IUPACN-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClC1CCCCC1Nc1ncnc2c1CCC2
InChIInChI=1S/C13H18ClN3/c14-10-5-1-2-6-12(10)17-13-9-4-3-7-11(9)15-8-16-13/h8,10,12H,1-7H2,(H,15,16,17)
InChIKeyASBVRHXVGWKJQW-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.93
Rot. Bonds2

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

N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 65029507) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID65029507
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClC1CCCCC1Nc1ncnc2c1CCC2
InChIInChI=1S/C13H18ClN3/c14-10-5-1-2-6-12(10)17-13-9-4-3-7-11(9)15-8-16-13/h8,10,12H,1-7H2,(H,15,16,17)
InChIKeyASBVRHXVGWKJQW-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 65029507) is N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is ClC1CCCCC1Nc1ncnc2c1CCC2.
What is the InChIKey of N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ASBVRHXVGWKJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-10-5-1-2-6-12(10)17-13-9-4-3-7-11(9)15-8-16-13/h8,10,12H,1-7H2,(H,15,16,17).
What are the key properties of N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 251.76 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 65029507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).