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

C24H29N5 — CID 112922293

IUPACN-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1cc(C)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-4-29(22-12-8-9-19(2)17-22)23-18-20(3)25-24(26-23)28-15-13-27(14-16-28)21-10-6-5-7-11-21/h5-12,17-18H,4,13-16H2,1-3H3
InChIKeyHWKFRNNNVOJBOI-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.58
Rot. Bonds5

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

N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112922293) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112922293
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1cc(C)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-4-29(22-12-8-9-19(2)17-22)23-18-20(3)25-24(26-23)28-15-13-27(14-16-28)21-10-6-5-7-11-21/h5-12,17-18H,4,13-16H2,1-3H3
InChIKeyHWKFRNNNVOJBOI-UHFFFAOYSA-N
XLogP4.58
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-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,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 95922752
N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
CID 112936528
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112914294
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 154830244
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909479
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
CID 112923593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112922293) is N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CCN(c1cccc(C)c1)c1cc(C)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is HWKFRNNNVOJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-4-29(22-12-8-9-19(2)17-22)23-18-20(3)25-24(26-23)28-15-13-27(14-16-28)21-10-6-5-7-11-21/h5-12,17-18H,4,13-16H2,1-3H3.
What are the key properties of N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112922293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).