2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine

C14H23N3 — CID 63318667

IUPAC2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)cc(C2CCCC2)n1
InChIInChI=1S/C14H23N3/c1-4-14(3,15)13-16-10(2)9-12(17-13)11-7-5-6-8-11/h9,11H,4-8,15H2,1-3H3
InChIKeyRHMLIQHREAMBNM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.03
Rot. Bonds3

About 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine

2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine (PubChem CID 63318667) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine
PubChem CID63318667
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)cc(C2CCCC2)n1
InChIInChI=1S/C14H23N3/c1-4-14(3,15)13-16-10(2)9-12(17-13)11-7-5-6-8-11/h9,11H,4-8,15H2,1-3H3
InChIKeyRHMLIQHREAMBNM-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine?
The IUPAC name of 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine (CID 63318667) is 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine is CCC(C)(N)c1nc(C)cc(C2CCCC2)n1.
What is the InChIKey of 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine?
The InChIKey is RHMLIQHREAMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-14(3,15)13-16-10(2)9-12(17-13)11-7-5-6-8-11/h9,11H,4-8,15H2,1-3H3.
What are the key properties of 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine?
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 63318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).