[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109299151

IUPAC[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccnc(N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C19H24N4O/c1-15-9-12-23(13-10-15)18(24)17-8-11-20-19(21-17)22(2)14-16-6-4-3-5-7-16/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyTWNQJMGLOHKUFQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.99
Rot. Bonds4

About [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109299151) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109299151
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccnc(N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C19H24N4O/c1-15-9-12-23(13-10-15)18(24)17-8-11-20-19(21-17)22(2)14-16-6-4-3-5-7-16/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyTWNQJMGLOHKUFQ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094
[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
[2-(N-benzylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302332
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
[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

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109299151) is [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccnc(N(C)Cc3ccccc3)n2)CC1.
What is the InChIKey of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is TWNQJMGLOHKUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-9-12-23(13-10-15)18(24)17-8-11-20-19(21-17)22(2)14-16-6-4-3-5-7-16/h3-8,11,15H,9-10,12-14H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.99, 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]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109299151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).