4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine

C18H25N5 — CID 22539280

IUPAC4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(N2CCCCC2)c1N
InChIInChI=1S/C18H25N5/c1-3-23(15-9-7-8-14(2)12-15)18-16(19)17(20-13-21-18)22-10-5-4-6-11-22/h7-9,12-13H,3-6,10-11,19H2,1-2H3
InChIKeyJVVFDABUQLACSA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.52
Rot. Bonds4

About 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine

4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (PubChem CID 22539280) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
PubChem CID22539280
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(N2CCCCC2)c1N
InChIInChI=1S/C18H25N5/c1-3-23(15-9-7-8-14(2)12-15)18-16(19)17(20-13-21-18)22-10-5-4-6-11-22/h7-9,12-13H,3-6,10-11,19H2,1-2H3
InChIKeyJVVFDABUQLACSA-UHFFFAOYSA-N
XLogP3.52
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-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

4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22539284
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22539296
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539422
6-(4-benzhydrylpiperazin-1-yl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539292
4-N-ethyl-6-imidazol-1-yl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539459
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-ethyl-4-N-phenylpyrimidine-4,5-diamine
CID 22539819
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N,4-N-dimethyl-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19136884
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539446

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine (CID 22539280) is 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is CCN(c1cccc(C)c1)c1ncnc(N2CCCCC2)c1N.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
The InChIKey is JVVFDABUQLACSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-23(15-9-7-8-14(2)12-15)18-16(19)17(20-13-21-18)22-10-5-4-6-11-22/h7-9,12-13H,3-6,10-11,19H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine?
4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine has a molecular weight of 311.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22539280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).