N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C22H26N6 — CID 112861788

IUPACN-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C22H26N6/c1-26(12-9-19-7-10-23-11-8-19)21-17-22(25-18-24-21)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-8,10-11,17-18H,9,12-16H2,1H3
InChIKeyRUQKPKXOOZPDPJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 112861788) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID112861788
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C22H26N6/c1-26(12-9-19-7-10-23-11-8-19)21-17-22(25-18-24-21)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-8,10-11,17-18H,9,12-16H2,1H3
InChIKeyRUQKPKXOOZPDPJ-UHFFFAOYSA-N
XLogP2.88
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)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-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112861801
N-methyl-5-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954689
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112859436
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 154882630
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112895579
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 112861788) is N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is CN(CCc1ccncc1)c1cc(N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is RUQKPKXOOZPDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-26(12-9-19-7-10-23-11-8-19)21-17-22(25-18-24-21)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-8,10-11,17-18H,9,12-16H2,1H3.
What are the key properties of N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112861788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).