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

C12H17N5 — CID 106721431

IUPAC1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2ncccn2)cn1
InChIInChI=1S/C12H17N5/c1-2-10(13)6-11-7-17(9-16-11)8-12-14-4-3-5-15-12/h3-5,7,9-10H,2,6,8,13H2,1H3
InChIKeyQUVBAFBQGCOHBH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.00
Rot. Bonds5

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

1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine (PubChem CID 106721431) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
PubChem CID106721431
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2ncccn2)cn1
InChIInChI=1S/C12H17N5/c1-2-10(13)6-11-7-17(9-16-11)8-12-14-4-3-5-15-12/h3-5,7,9-10H,2,6,8,13H2,1H3
InChIKeyQUVBAFBQGCOHBH-UHFFFAOYSA-N
XLogP1.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine (CID 106721431) is 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(Cc2ncccn2)cn1.
What is the InChIKey of 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine?
The InChIKey is QUVBAFBQGCOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-10(13)6-11-7-17(9-16-11)8-12-14-4-3-5-15-12/h3-5,7,9-10H,2,6,8,13H2,1H3.
What are the key properties of 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine?
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).