1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine

C12H21N3 — CID 62744170

IUPAC1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(CC(C)C)n1
InChIInChI=1S/C12H21N3/c1-4-10(13)8-11-5-6-14-12(15-11)7-9(2)3/h5-6,9-10H,4,7-8,13H2,1-3H3
InChIKeyNHDGLLWHCGSWAV-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine

1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine (PubChem CID 62744170) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
PubChem CID62744170
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(CC(C)C)n1
InChIInChI=1S/C12H21N3/c1-4-10(13)8-11-5-6-14-12(15-11)7-9(2)3/h5-6,9-10H,4,7-8,13H2,1-3H3
InChIKeyNHDGLLWHCGSWAV-UHFFFAOYSA-N
XLogP1.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine (CID 62744170) is 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine is CCC(N)Cc1ccnc(CC(C)C)n1.
What is the InChIKey of 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine?
The InChIKey is NHDGLLWHCGSWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(13)8-11-5-6-14-12(15-11)7-9(2)3/h5-6,9-10H,4,7-8,13H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine?
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 62744170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).