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

C24H29N5 — CID 112915664

IUPACN-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C24H29N5/c1-18-8-7-11-22(20(18)3)28-12-14-29(15-13-28)23-16-19(2)26-24(27-23)25-17-21-9-5-4-6-10-21/h4-11,16H,12-15,17H2,1-3H3,(H,25,26,27)
InChIKeyCBJOWMLVLFFRDW-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.34
Rot. Bonds5

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

N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 112915664) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID112915664
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C24H29N5/c1-18-8-7-11-22(20(18)3)28-12-14-29(15-13-28)23-16-19(2)26-24(27-23)25-17-21-9-5-4-6-10-21/h4-11,16H,12-15,17H2,1-3H3,(H,25,26,27)
InChIKeyCBJOWMLVLFFRDW-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-prop-2-enylpyrimidin-2-amine
CID 112907944
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112917640
2-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112923576
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
4-methyl-N-[(3-methylphenyl)methyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916237
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 112908701
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 112915664) is N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is CBJOWMLVLFFRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18-8-7-11-22(20(18)3)28-12-14-29(15-13-28)23-16-19(2)26-24(27-23)25-17-21-9-5-4-6-10-21/h4-11,16H,12-15,17H2,1-3H3,(H,25,26,27).
What are the key properties of N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112915664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).