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

C21H31N5 — CID 112875379

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCN(c3cccc(C)c3C)CC2)nc(C)n1
InChIInChI=1S/C21H31N5/c1-6-24(7-2)20-15-21(23-18(5)22-20)26-13-11-25(12-14-26)19-10-8-9-16(3)17(19)4/h8-10,15H,6-7,11-14H2,1-5H3
InChIKeyQTIFPFBVKVNXLL-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.57
Rot. Bonds5

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

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine (PubChem CID 112875379) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
PubChem CID112875379
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCN(c3cccc(C)c3C)CC2)nc(C)n1
InChIInChI=1S/C21H31N5/c1-6-24(7-2)20-15-21(23-18(5)22-20)26-13-11-25(12-14-26)19-10-8-9-16(3)17(19)4/h8-10,15H,6-7,11-14H2,1-5H3
InChIKeyQTIFPFBVKVNXLL-UHFFFAOYSA-N
XLogP3.57
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
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-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365384
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline
CID 2845785
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869319
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112915664
7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122174844
N-ethyl-2-methyl-6-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 112869906
N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
CID 112874796
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-prop-2-enylpyrimidin-2-amine
CID 112907944

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine (CID 112875379) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine is CCN(CC)c1cc(N2CCN(c3cccc(C)c3C)CC2)nc(C)n1.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine?
The InChIKey is QTIFPFBVKVNXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-6-24(7-2)20-15-21(23-18(5)22-20)26-13-11-25(12-14-26)19-10-8-9-16(3)17(19)4/h8-10,15H,6-7,11-14H2,1-5H3.
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 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]-N,N-diethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112875379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).