N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine

C19H26N4 — CID 112890842

IUPACN-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-3-17-11-7-8-14-23(17)19-20-13-12-18(21-19)22(2)15-16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,3,7-8,11,14-15H2,1-2H3
InChIKeyYYKPFIGSFIRMPF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.88
Rot. Bonds5

About N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine

N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 112890842) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
PubChem CID112890842
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-3-17-11-7-8-14-23(17)19-20-13-12-18(21-19)22(2)15-16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,3,7-8,11,14-15H2,1-2H3
InChIKeyYYKPFIGSFIRMPF-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(2-ethylpiperidin-1-yl)-N-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

Related Compounds

N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894230
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
CID 112900933
(4-benzylpiperazin-1-yl)-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309443
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine (CID 112890842) is N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine is CCC1CCCCN1c1nccc(N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is YYKPFIGSFIRMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-17-11-7-8-14-23(17)19-20-13-12-18(21-19)22(2)15-16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,3,7-8,11,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine?
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112890842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).