2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine

C24H29N5 — CID 112922149

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(C)cccc2C)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-18-8-7-9-19(2)23(18)26-22-16-20(3)25-24(27-22)29-14-12-28(13-15-29)17-21-10-5-4-6-11-21/h4-11,16H,12-15,17H2,1-3H3,(H,25,26,27)
InChIKeyGVGYUALSYPEVKQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.47
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine

2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine (PubChem CID 112922149) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
PubChem CID112922149
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(C)cccc2C)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-18-8-7-9-19(2)23(18)26-22-16-20(3)25-24(27-22)29-14-12-28(13-15-29)17-21-10-5-4-6-11-21/h4-11,16H,12-15,17H2,1-3H3,(H,25,26,27)
InChIKeyGVGYUALSYPEVKQ-UHFFFAOYSA-N
XLogP4.47
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 112906857
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 112907733
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 112911357
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
(6S)-1-benzyl-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-1,4-diazepan-6-ol
CID 97278299
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 109319885

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine (CID 112922149) is 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2c(C)cccc2C)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is GVGYUALSYPEVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18-8-7-9-19(2)23(18)26-22-16-20(3)25-24(27-22)29-14-12-28(13-15-29)17-21-10-5-4-6-11-21/h4-11,16H,12-15,17H2,1-3H3,(H,25,26,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112922149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).