N-cyclopentylpyrimidin-2-amine

C9H13N3 — CID 820067

IUPACN-cyclopentylpyrimidin-2-amine
SMILESc1cnc(NC2CCCC2)nc1
InChIInChI=1S/C9H13N3/c1-2-5-8(4-1)12-9-10-6-3-7-11-9/h3,6-8H,1-2,4-5H2,(H,10,11,12)
InChIKeyOTPXNHRKTKAFCD-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.83
Rot. Bonds2

About N-cyclopentylpyrimidin-2-amine

N-cyclopentylpyrimidin-2-amine (PubChem CID 820067) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentylpyrimidin-2-amine
PubChem CID820067
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-cyclopentylpyrimidin-2-amine
SMILESc1cnc(NC2CCCC2)nc1
InChIInChI=1S/C9H13N3/c1-2-5-8(4-1)12-9-10-6-3-7-11-9/h3,6-8H,1-2,4-5H2,(H,10,11,12)
InChIKeyOTPXNHRKTKAFCD-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentylpyrimidin-2-amine?
The IUPAC name of N-cyclopentylpyrimidin-2-amine (CID 820067) is N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for N-cyclopentylpyrimidin-2-amine is c1cnc(NC2CCCC2)nc1.
What is the InChIKey of N-cyclopentylpyrimidin-2-amine?
The InChIKey is OTPXNHRKTKAFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-5-8(4-1)12-9-10-6-3-7-11-9/h3,6-8H,1-2,4-5H2,(H,10,11,12).
What are the key properties of N-cyclopentylpyrimidin-2-amine?
N-cyclopentylpyrimidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 820067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).