N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C21H31N5 — CID 112875331

IUPACN-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1
InChIInChI=1S/C21H31N5/c1-5-6-10-24(4)20-16-21(23-18(3)22-20)26-13-11-25(12-14-26)19-9-7-8-17(2)15-19/h7-9,15-16H,5-6,10-14H2,1-4H3
InChIKeyUXUBLGKKKQWNKN-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.66
Rot. Bonds6

About N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112875331) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112875331
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC NameN-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1
InChIInChI=1S/C21H31N5/c1-5-6-10-24(4)20-16-21(23-18(3)22-20)26-13-11-25(12-14-26)19-9-7-8-17(2)15-19/h7-9,15-16H,5-6,10-14H2,1-4H3
InChIKeyUXUBLGKKKQWNKN-UHFFFAOYSA-N
XLogP3.66
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112923626
N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112876355
4-N-butyl-4-N,2-dimethyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112876409
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
2-[2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112873821
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112898403
6-(4-ethylpiperazin-1-yl)-2-methyl-N,N-dipropylpyrimidin-4-amine
CID 112870879
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
N-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112925591

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112875331) is N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is CCCCN(C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1.
What is the InChIKey of N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is UXUBLGKKKQWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-5-6-10-24(4)20-16-21(23-18(3)22-20)26-13-11-25(12-14-26)19-9-7-8-17(2)15-19/h7-9,15-16H,5-6,10-14H2,1-4H3.
What are the key properties of N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112875331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).