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

C19H27N5 — CID 112867225

IUPAC2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1
InChIInChI=1S/C19H27N5/c1-4-8-20-18-14-19(22-16(3)21-18)24-11-9-23(10-12-24)17-7-5-6-15(2)13-17/h5-7,13-14H,4,8-12H2,1-3H3,(H,20,21,22)
InChIKeyWCTDEWHYJPIUHF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.24
Rot. Bonds5

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

2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine (PubChem CID 112867225) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
PubChem CID112867225
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1
InChIInChI=1S/C19H27N5/c1-4-8-20-18-14-19(22-16(3)21-18)24-11-9-23(10-12-24)17-7-5-6-15(2)13-17/h5-7,13-14H,4,8-12H2,1-3H3,(H,20,21,22)
InChIKeyWCTDEWHYJPIUHF-UHFFFAOYSA-N
XLogP3.24
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112871352
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 80803337
N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112875331
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine (CID 112867225) is 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
The InChIKey is WCTDEWHYJPIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-4-8-20-18-14-19(22-16(3)21-18)24-11-9-23(10-12-24)17-7-5-6-15(2)13-17/h5-7,13-14H,4,8-12H2,1-3H3,(H,20,21,22).
What are the key properties of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 112867225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).