6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine

C20H28N4 — CID 112872082

IUPAC6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C20H28N4/c1-4-18-12-8-9-13-24(18)20-14-19(22-16(3)23-20)21-15(2)17-10-6-5-7-11-17/h5-7,10-11,14-15,18H,4,8-9,12-13H2,1-3H3,(H,21,22,23)
InChIKeyVJONGQODBDNXQN-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.73
Rot. Bonds5

About 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine

6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 112872082) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID112872082
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C20H28N4/c1-4-18-12-8-9-13-24(18)20-14-19(22-16(3)23-20)21-15(2)17-10-6-5-7-11-17/h5-7,10-11,14-15,18H,4,8-9,12-13H2,1-3H3,(H,21,22,23)
InChIKeyVJONGQODBDNXQN-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
6-(2-ethylpiperidin-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112876497
2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112876525
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876515
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
5-(2-ethylpiperidin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280798
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine (CID 112872082) is 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine is CCC1CCCCN1c1cc(NC(C)c2ccccc2)nc(C)n1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is VJONGQODBDNXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-4-18-12-8-9-13-24(18)20-14-19(22-16(3)23-20)21-15(2)17-10-6-5-7-11-17/h5-7,10-11,14-15,18H,4,8-9,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112872082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).