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

C20H29N5 — CID 112867227

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(C)n1
InChIInChI=1S/C20H29N5/c1-5-9-21-19-14-20(23-17(4)22-19)25-12-10-24(11-13-25)18-8-6-7-15(2)16(18)3/h6-8,14H,5,9-13H2,1-4H3,(H,21,22,23)
InChIKeyUEWNGEUMAYWHIQ-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.55
Rot. Bonds5

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

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 112867227) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
PubChem CID112867227
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(C)n1
InChIInChI=1S/C20H29N5/c1-5-9-21-19-14-20(23-17(4)22-19)25-12-10-24(11-13-25)18-8-6-7-15(2)16(18)3/h6-8,14H,5,9-13H2,1-4H3,(H,21,22,23)
InChIKeyUEWNGEUMAYWHIQ-UHFFFAOYSA-N
XLogP3.55
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112868654
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 80803337
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112915664

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine (CID 112867227) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(C)n1.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is UEWNGEUMAYWHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-5-9-21-19-14-20(23-17(4)22-19)25-12-10-24(11-13-25)18-8-6-7-15(2)16(18)3/h6-8,14H,5,9-13H2,1-4H3,(H,21,22,23).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 112867227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).