azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone

C15H22N4O2 — CID 109343493

IUPACazepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESO=C(c1cc(N2CCOCC2)ncn1)N1CCCCCC1
InChIInChI=1S/C15H22N4O2/c20-15(19-5-3-1-2-4-6-19)13-11-14(17-12-16-13)18-7-9-21-10-8-18/h11-12H,1-10H2
InChIKeyXLWRALJEVAZCJL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.33
Rot. Bonds2

About azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone

azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone (PubChem CID 109343493) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
PubChem CID109343493
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nameazepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESO=C(c1cc(N2CCOCC2)ncn1)N1CCCCCC1
InChIInChI=1S/C15H22N4O2/c20-15(19-5-3-1-2-4-6-19)13-11-14(17-12-16-13)18-7-9-21-10-8-18/h11-12H,1-10H2
InChIKeyXLWRALJEVAZCJL-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze azepan-1-yl-(6-morpholin-4-ylpyrimidin-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

azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345763
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
[4-(3-chlorophenyl)piperazin-1-yl]-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 91816383
ethyl 4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352856
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 83707447

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone (CID 109343493) is azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone is O=C(c1cc(N2CCOCC2)ncn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone?
The InChIKey is XLWRALJEVAZCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(19-5-3-1-2-4-6-19)13-11-14(17-12-16-13)18-7-9-21-10-8-18/h11-12H,1-10H2.
What are the key properties of azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone?
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109343493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).