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

C23H27N5 — CID 112873690

IUPAC2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCCc2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-19-25-22(24-13-12-20-8-4-2-5-9-20)18-23(26-19)28-16-14-27(15-17-28)21-10-6-3-7-11-21/h2-11,18H,12-17H2,1H3,(H,24,25,26)
InChIKeyBKMOZOUJJZOXIY-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.77
Rot. Bonds6

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

2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112873690) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112873690
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCCc2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-19-25-22(24-13-12-20-8-4-2-5-9-20)18-23(26-19)28-16-14-27(15-17-28)21-10-6-3-7-11-21/h2-11,18H,12-17H2,1H3,(H,24,25,26)
InChIKeyBKMOZOUJJZOXIY-UHFFFAOYSA-N
XLogP3.77
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(2-phenylethyl)-6-(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

2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870213
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1-phenylmethanesulfonamide
CID 50947326
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112873690) is 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(NCCc2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is BKMOZOUJJZOXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-19-25-22(24-13-12-20-8-4-2-5-9-20)18-23(26-19)28-16-14-27(15-17-28)21-10-6-3-7-11-21/h2-11,18H,12-17H2,1H3,(H,24,25,26).
What are the key properties of 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112873690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).