N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C20H28N4 — CID 112869319

IUPACN-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C20H28N4/c1-5-24(18-8-6-7-16(3)13-18)20-14-19(21-17(4)22-20)23-11-9-15(2)10-12-23/h6-8,13-15H,5,9-12H2,1-4H3
InChIKeyJZOFDOUAYKXRCO-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.49
Rot. Bonds4

About N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112869319) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112869319
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C20H28N4/c1-5-24(18-8-6-7-16(3)13-18)20-14-19(21-17(4)22-20)23-11-9-15(2)10-12-23/h6-8,13-15H,5,9-12H2,1-4H3
InChIKeyJZOFDOUAYKXRCO-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-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-methyl-6-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 112869906
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869160
N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
CID 112874796
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22539296
N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901156
N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112914294
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112869812
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112869319) is N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is CCN(c1cccc(C)c1)c1cc(N2CCC(C)CC2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is JZOFDOUAYKXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-5-24(18-8-6-7-16(3)13-18)20-14-19(21-17(4)22-20)23-11-9-15(2)10-12-23/h6-8,13-15H,5,9-12H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112869319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).