[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

C19H24N4O — CID 109322452

IUPAC[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O/c1-15-13-17(18(24)23-11-7-4-8-12-23)21-19(20-15)22(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3
InChIKeyCQUOMSOYFWWLFS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.05
Rot. Bonds4

About [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109322452) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109322452
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O/c1-15-13-17(18(24)23-11-7-4-8-12-23)21-19(20-15)22(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3
InChIKeyCQUOMSOYFWWLFS-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone
CID 109331521
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109322452) is [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CQUOMSOYFWWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-13-17(18(24)23-11-7-4-8-12-23)21-19(20-15)22(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109322452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).