5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine

C13H22N4 — CID 114216694

IUPAC5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCN(CC1CCC1)c1nc(C)ncc1CN
InChIInChI=1S/C13H22N4/c1-3-17(9-11-5-4-6-11)13-12(7-14)8-15-10(2)16-13/h8,11H,3-7,9,14H2,1-2H3
InChIKeyWLEIMPNVBBRERF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.87
Rot. Bonds5

About 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine

5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 114216694) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID114216694
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCN(CC1CCC1)c1nc(C)ncc1CN
InChIInChI=1S/C13H22N4/c1-3-17(9-11-5-4-6-11)13-12(7-14)8-15-10(2)16-13/h8,11H,3-7,9,14H2,1-2H3
InChIKeyWLEIMPNVBBRERF-UHFFFAOYSA-N
XLogP1.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-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 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine (CID 114216694) is 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine is CCN(CC1CCC1)c1nc(C)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is WLEIMPNVBBRERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17(9-11-5-4-6-11)13-12(7-14)8-15-10(2)16-13/h8,11H,3-7,9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine?
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114216694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).