azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone

C20H26N4O — CID 109328241

IUPACazepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-16-14-18(19(25)24-12-8-3-4-9-13-24)22-20(21-16)23(2)15-17-10-6-5-7-11-17/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3
InChIKeyDKEYOOCNKSWPCD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.44
Rot. Bonds4

About azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone

azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone (PubChem CID 109328241) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
PubChem CID109328241
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Nameazepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-16-14-18(19(25)24-12-8-3-4-9-13-24)22-20(21-16)23(2)15-17-10-6-5-7-11-17/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3
InChIKeyDKEYOOCNKSWPCD-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-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]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
[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 azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone (CID 109328241) is azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCCCCC2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone?
The InChIKey is DKEYOOCNKSWPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-14-18(19(25)24-12-8-3-4-9-13-24)22-20(21-16)23(2)15-17-10-6-5-7-11-17/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3.
What are the key properties of azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone?
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109328241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).