2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine

C24H29N5 — CID 112923590

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C)nc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C24H29N5/c1-17-9-7-11-22(20(17)4)28-12-14-29(15-13-28)24-25-19(3)16-23(27-24)26-21-10-6-5-8-18(21)2/h5-11,16H,12-15H2,1-4H3,(H,25,26,27)
InChIKeyMCVNLJSUDVACHA-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.78
Rot. Bonds4

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 112923590) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID112923590
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C)nc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C24H29N5/c1-17-9-7-11-22(20(17)4)28-12-14-29(15-13-28)24-25-19(3)16-23(27-24)26-21-10-6-5-8-18(21)2/h5-11,16H,12-15H2,1-4H3,(H,25,26,27)
InChIKeyMCVNLJSUDVACHA-UHFFFAOYSA-N
XLogP4.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110383480
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 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine (CID 112923590) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccccc2C)nc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is MCVNLJSUDVACHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-17-9-7-11-22(20(17)4)28-12-14-29(15-13-28)24-25-19(3)16-23(27-24)26-21-10-6-5-8-18(21)2/h5-11,16H,12-15H2,1-4H3,(H,25,26,27).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112923590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).