2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine

C13H21ClN4 — CID 62481992

IUPAC2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCN1CCC(N(C)c2cc(C)nc(Cl)n2)CC1
InChIInChI=1S/C13H21ClN4/c1-4-18-7-5-11(6-8-18)17(3)12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3
InChIKeyVEZWGLVKRKCFOH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine

2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 62481992) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID62481992
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCN1CCC(N(C)c2cc(C)nc(Cl)n2)CC1
InChIInChI=1S/C13H21ClN4/c1-4-18-7-5-11(6-8-18)17(3)12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3
InChIKeyVEZWGLVKRKCFOH-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-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

2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71641175
1-(4-chlorophenyl)-2-[4-[(1-ethylpyrrolidin-3-yl)-methylamino]-6-methylpyrimidin-2-yl]-1-methylguanidine
CID 154410048
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 63961742
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80820622
2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 166460267
[6-[(1-ethylpiperidin-4-yl)-methylamino]-2-pyridinyl]methanol
CID 62255019
2-N-ethyl-6-N-(1-ethylpiperidin-4-yl)-6-N-methylpyridine-2,6-diamine
CID 80820475
4-N-(1-ethylpiperidin-4-yl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80820786
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80809163
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine (CID 62481992) is 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine is CCN1CCC(N(C)c2cc(C)nc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is VEZWGLVKRKCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-4-18-7-5-11(6-8-18)17(3)12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62481992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).