[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C22H30N4O — CID 109329487

IUPAC[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-4-19-13-9-10-14-26(19)21(27)20-15-17(3)23-22(24-20)25(5-2)16-18-11-7-6-8-12-18/h6-8,11-12,15,19H,4-5,9-10,13-14,16H2,1-3H3
InChIKeyJCNJMMBXLGYWHT-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.22
Rot. Bonds6

About [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109329487) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109329487
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-4-19-13-9-10-14-26(19)21(27)20-15-17(3)23-22(24-20)25(5-2)16-18-11-7-6-8-12-18/h6-8,11-12,15,19H,4-5,9-10,13-14,16H2,1-3H3
InChIKeyJCNJMMBXLGYWHT-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(diethylamino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109373283
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109329497
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333851
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109319725
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
N-ethyl-6-(2-ethylpiperidine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109099642
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109329487) is [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)nc(N(CC)Cc2ccccc2)n1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is JCNJMMBXLGYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-19-13-9-10-14-26(19)21(27)20-15-17(3)23-22(24-20)25(5-2)16-18-11-7-6-8-12-18/h6-8,11-12,15,19H,4-5,9-10,13-14,16H2,1-3H3.
What are the key properties of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 366.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).