4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine

C19H32N4 — CID 112876455

IUPAC4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
SMILESCCC1CCCCN1c1cc(N2CCCCC2CC)nc(C)n1
InChIInChI=1S/C19H32N4/c1-4-16-10-6-8-12-22(16)18-14-19(21-15(3)20-18)23-13-9-7-11-17(23)5-2/h14,16-17H,4-13H2,1-3H3
InChIKeyHSEMDXFURIVCQP-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.32
Rot. Bonds4

About 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine

4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine (PubChem CID 112876455) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
PubChem CID112876455
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
SMILESCCC1CCCCN1c1cc(N2CCCCC2CC)nc(C)n1
InChIInChI=1S/C19H32N4/c1-4-16-10-6-8-12-22(16)18-14-19(21-15(3)20-18)23-13-9-7-11-17(23)5-2/h14,16-17H,4-13H2,1-3H3
InChIKeyHSEMDXFURIVCQP-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
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
2-[6-[(2R)-2-ethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
CID 95218180
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
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
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
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine (CID 112876455) is 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine is CCC1CCCCN1c1cc(N2CCCCC2CC)nc(C)n1.
What is the InChIKey of 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine?
The InChIKey is HSEMDXFURIVCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-16-10-6-8-12-22(16)18-14-19(21-15(3)20-18)23-13-9-7-11-17(23)5-2/h14,16-17H,4-13H2,1-3H3.
What are the key properties of 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine?
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine has a molecular weight of 316.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 112876455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).