2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine

C12H19N3 — CID 170581547

IUPAC2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
SMILESCCC1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C12H19N3/c1-3-11-5-8-15(9-6-11)12-13-7-4-10(2)14-12/h4,7,11H,3,5-6,8-9H2,1-2H3
InChIKeyLEKKDIKDJFYIDH-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine

2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine (PubChem CID 170581547) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
PubChem CID170581547
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
SMILESCCC1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C12H19N3/c1-3-11-5-8-15(9-6-11)12-13-7-4-10(2)14-12/h4,7,11H,3,5-6,8-9H2,1-2H3
InChIKeyLEKKDIKDJFYIDH-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310058
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine
CID 134171591
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
CID 133309388
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine (CID 170581547) is 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine is CCC1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine?
The InChIKey is LEKKDIKDJFYIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-11-5-8-15(9-6-11)12-13-7-4-10(2)14-12/h4,7,11H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine?
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine has a molecular weight of 205.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 170581547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).