N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine

C12H15N5 — CID 82903364

IUPACN-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCn1cncc1-c1nccc(CNC2CC2)n1
InChIInChI=1S/C12H15N5/c1-17-8-13-7-11(17)12-14-5-4-10(16-12)6-15-9-2-3-9/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyJHFSHIISNUPMSB-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.13
Rot. Bonds4

About N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 82903364) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID82903364
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCn1cncc1-c1nccc(CNC2CC2)n1
InChIInChI=1S/C12H15N5/c1-17-8-13-7-11(17)12-14-5-4-10(16-12)6-15-9-2-3-9/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyJHFSHIISNUPMSB-UHFFFAOYSA-N
XLogP1.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine 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 N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 82903364) is N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine is Cn1cncc1-c1nccc(CNC2CC2)n1.
What is the InChIKey of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is JHFSHIISNUPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17-8-13-7-11(17)12-14-5-4-10(16-12)6-15-9-2-3-9/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 229.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82903364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).