2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine

C24H29N5 — CID 112923593

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
SMILESCc1cc(N(C)c2ccccc2)nc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C24H29N5/c1-18-9-8-12-22(20(18)3)28-13-15-29(16-14-28)24-25-19(2)17-23(26-24)27(4)21-10-6-5-7-11-21/h5-12,17H,13-16H2,1-4H3
InChIKeyIXLDCROYDXIJDJ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine (PubChem CID 112923593) 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]-N,6-dimethyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
PubChem CID112923593
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
SMILESCc1cc(N(C)c2ccccc2)nc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C24H29N5/c1-18-9-8-12-22(20(18)3)28-13-15-29(16-14-28)24-25-19(2)17-23(26-24)27(4)21-10-6-5-7-11-21/h5-12,17H,13-16H2,1-4H3
InChIKeyIXLDCROYDXIJDJ-UHFFFAOYSA-N
XLogP4.50
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine (CID 112923593) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine is Cc1cc(N(C)c2ccccc2)nc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine?
The InChIKey is IXLDCROYDXIJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18-9-8-12-22(20(18)3)28-13-15-29(16-14-28)24-25-19(2)17-23(26-24)27(4)21-10-6-5-7-11-21/h5-12,17H,13-16H2,1-4H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 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]-N,6-dimethyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112923593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).