4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine

C13H23N5 — CID 115266504

IUPAC4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(NC2CCCNC2)nc(C)n1
InChIInChI=1S/C13H23N5/c1-4-18(3)13-8-12(15-10(2)16-13)17-11-6-5-7-14-9-11/h8,11,14H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyXNAHNJAPTVTVRB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.41
Rot. Bonds4

About 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine

4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine (PubChem CID 115266504) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
PubChem CID115266504
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(NC2CCCNC2)nc(C)n1
InChIInChI=1S/C13H23N5/c1-4-18(3)13-8-12(15-10(2)16-13)17-11-6-5-7-14-9-11/h8,11,14H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyXNAHNJAPTVTVRB-UHFFFAOYSA-N
XLogP1.41
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine 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

6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine
CID 56768428
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
N-piperidin-3-yl-6-propylpyridazin-3-amine
CID 116971005
2-[4-[[6-[ethyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 87873625
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 133461679

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine (CID 115266504) is 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine is CCN(C)c1cc(NC2CCCNC2)nc(C)n1.
What is the InChIKey of 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine?
The InChIKey is XNAHNJAPTVTVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-18(3)13-8-12(15-10(2)16-13)17-11-6-5-7-14-9-11/h8,11,14H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine?
4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115266504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).