6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

C21H30N4O — CID 112874201

IUPAC6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NCCc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C21H30N4O/c1-4-18-9-5-6-13-25(18)21-15-20(23-16(2)24-21)22-12-11-17-8-7-10-19(14-17)26-3/h7-8,10,14-15,18H,4-6,9,11-13H2,1-3H3,(H,22,23,24)
InChIKeyRVZUTODUIHTMKZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.22
Rot. Bonds7

About 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 112874201) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID112874201
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NCCc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C21H30N4O/c1-4-18-9-5-6-13-25(18)21-15-20(23-16(2)24-21)22-12-11-17-8-7-10-19(14-17)26-3/h7-8,10,14-15,18H,4-6,9,11-13H2,1-3H3,(H,22,23,24)
InChIKeyRVZUTODUIHTMKZ-UHFFFAOYSA-N
XLogP4.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869387
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
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
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 112874201) is 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is CCC1CCCCN1c1cc(NCCc2cccc(OC)c2)nc(C)n1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is RVZUTODUIHTMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-18-9-5-6-13-25(18)21-15-20(23-16(2)24-21)22-12-11-17-8-7-10-19(14-17)26-3/h7-8,10,14-15,18H,4-6,9,11-13H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 354.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112874201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).