2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine

C14H24N4 — CID 116976316

IUPAC2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
SMILESCCc1cnc(N2CCC(CCNC)CC2)nc1
InChIInChI=1S/C14H24N4/c1-3-12-10-16-14(17-11-12)18-8-5-13(6-9-18)4-7-15-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyMRVWYYFEZBXFNB-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine (PubChem CID 116976316) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
PubChem CID116976316
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
SMILESCCc1cnc(N2CCC(CCNC)CC2)nc1
InChIInChI=1S/C14H24N4/c1-3-12-10-16-14(17-11-12)18-8-5-13(6-9-18)4-7-15-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyMRVWYYFEZBXFNB-UHFFFAOYSA-N
XLogP1.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
CID 105363020
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
CID 131998942
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
(3-aminopropylamino)-[4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2,6-dimethylphenyl]methanol
CID 70929196
2-[1-(5-iodopyrimidin-4-yl)piperidin-4-yl]-N-methylethanamine
CID 66321092
(7aR)-2-(5-ethylpyrimidin-2-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 66837618
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-ethylpyrimidine
CID 139028839

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine (CID 116976316) is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine is CCc1cnc(N2CCC(CCNC)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is MRVWYYFEZBXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-12-10-16-14(17-11-12)18-8-5-13(6-9-18)4-7-15-2/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine?
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 116976316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).