[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine

C13H22N4 — CID 103278831

IUPAC[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
SMILESCCc1nc(N2CCCC(CN)C2)ncc1C
InChIInChI=1S/C13H22N4/c1-3-12-10(2)8-15-13(16-12)17-6-4-5-11(7-14)9-17/h8,11H,3-7,9,14H2,1-2H3
InChIKeyBWKOAVRUJPJSQO-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.52
Rot. Bonds3

About [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine

[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine (PubChem CID 103278831) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
PubChem CID103278831
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
SMILESCCc1nc(N2CCCC(CN)C2)ncc1C
InChIInChI=1S/C13H22N4/c1-3-12-10(2)8-15-13(16-12)17-6-4-5-11(7-14)9-17/h8,11H,3-7,9,14H2,1-2H3
InChIKeyBWKOAVRUJPJSQO-UHFFFAOYSA-N
XLogP1.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-ethyl-4-propylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278793
4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine
CID 126448998
[1-(5,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278789
[1-(7,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278800
[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278754
[1-(6-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278777
(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
CID 72895263
[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 116976207
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72842183
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278804

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine (CID 103278831) is [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine is CCc1nc(N2CCCC(CN)C2)ncc1C.
What is the InChIKey of [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
The InChIKey is BWKOAVRUJPJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-12-10(2)8-15-13(16-12)17-6-4-5-11(7-14)9-17/h8,11H,3-7,9,14H2,1-2H3.
What are the key properties of [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 103278831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).