3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine

C14H21N3 — CID 116893656

IUPAC3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cc(C2CCCC2)nc(C2CC(N)C2)n1
InChIInChI=1S/C14H21N3/c1-9-6-13(10-4-2-3-5-10)17-14(16-9)11-7-12(15)8-11/h6,10-12H,2-5,7-8,15H2,1H3
InChIKeySRQWBXACVHOVMF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.65
Rot. Bonds2

About 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine

3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine (PubChem CID 116893656) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
PubChem CID116893656
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cc(C2CCCC2)nc(C2CC(N)C2)n1
InChIInChI=1S/C14H21N3/c1-9-6-13(10-4-2-3-5-10)17-14(16-9)11-7-12(15)8-11/h6,10-12H,2-5,7-8,15H2,1H3
InChIKeySRQWBXACVHOVMF-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine (CID 116893656) is 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine is Cc1cc(C2CCCC2)nc(C2CC(N)C2)n1.
What is the InChIKey of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine?
The InChIKey is SRQWBXACVHOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9-6-13(10-4-2-3-5-10)17-14(16-9)11-7-12(15)8-11/h6,10-12H,2-5,7-8,15H2,1H3.
What are the key properties of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine?
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116893656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).