N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C21H23N5 — CID 112862245

IUPACN-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C21H23N5/c1-17-7-9-18(10-8-17)24-20-15-21(23-16-22-20)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,22,23,24)
InChIKeyWHODJOQDIMJCQN-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.86
Rot. Bonds4

About N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112862245) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112862245
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C21H23N5/c1-17-7-9-18(10-8-17)24-20-15-21(23-16-22-20)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,22,23,24)
InChIKeyWHODJOQDIMJCQN-UHFFFAOYSA-N
XLogP3.86
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
1-[4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112862340
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112862245) is N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is WHODJOQDIMJCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-17-7-9-18(10-8-17)24-20-15-21(23-16-22-20)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,22,23,24).
What are the key properties of N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112862245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).