[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C16H24N4O — CID 109319725

IUPAC[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(NC2CC2)n1
InChIInChI=1S/C16H24N4O/c1-3-13-6-4-5-9-20(13)15(21)14-10-11(2)17-16(19-14)18-12-7-8-12/h10,12-13H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyLYPQYXOQBYCGJO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.76
Rot. Bonds4

About [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109319725) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109319725
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(NC2CC2)n1
InChIInChI=1S/C16H24N4O/c1-3-13-6-4-5-9-20(13)15(21)14-10-11(2)17-16(19-14)18-12-7-8-12/h10,12-13H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyLYPQYXOQBYCGJO-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856
(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
(2-ethylpiperidin-1-yl)-[6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109333892
(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331595
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[6-(cycloheptylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109353967
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109329487

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109319725) is [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)nc(NC2CC2)n1.
What is the InChIKey of [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is LYPQYXOQBYCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-13-6-4-5-9-20(13)15(21)14-10-11(2)17-16(19-14)18-12-7-8-12/h10,12-13H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109319725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).