N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

C20H28N4 — CID 112876470

IUPACN-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2ccc(C)c(C)c2)nc(C)n1
InChIInChI=1S/C20H28N4/c1-5-18-8-6-7-11-24(18)20-13-19(21-16(4)22-20)23-17-10-9-14(2)15(3)12-17/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,21,22,23)
InChIKeyNVGVEPGOVDDWHN-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.91
Rot. Bonds4

About N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112876470) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112876470
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2ccc(C)c(C)c2)nc(C)n1
InChIInChI=1S/C20H28N4/c1-5-18-8-6-7-11-24(18)20-13-19(21-16(4)22-20)23-17-10-9-14(2)15(3)12-17/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,21,22,23)
InChIKeyNVGVEPGOVDDWHN-UHFFFAOYSA-N
XLogP4.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876515
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112876525
6-(2-ethylpiperidin-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112876497
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (CID 112876470) is N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is CCC1CCCCN1c1cc(Nc2ccc(C)c(C)c2)nc(C)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is NVGVEPGOVDDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-5-18-8-6-7-11-24(18)20-13-19(21-16(4)22-20)23-17-10-9-14(2)15(3)12-17/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,21,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112876470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).