azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

C15H22N4O — CID 109297545

IUPACazepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(N2CCCC2)n1)N1CCCCCC1
InChIInChI=1S/C15H22N4O/c20-14(18-9-3-1-2-4-10-18)13-7-8-16-15(17-13)19-11-5-6-12-19/h7-8H,1-6,9-12H2
InChIKeyBQMPMDUSIDKIFX-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.09
Rot. Bonds2

About azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109297545) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109297545
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Nameazepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(N2CCCC2)n1)N1CCCCCC1
InChIInChI=1S/C15H22N4O/c20-14(18-9-3-1-2-4-10-18)13-7-8-16-15(17-13)19-11-5-6-12-19/h7-8H,1-6,9-12H2
InChIKeyBQMPMDUSIDKIFX-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
ethyl 4-[4-(piperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109298454
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 154746917
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 120746633
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 109297545) is azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is O=C(c1ccnc(N2CCCC2)n1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is BQMPMDUSIDKIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14(18-9-3-1-2-4-10-18)13-7-8-16-15(17-13)19-11-5-6-12-19/h7-8H,1-6,9-12H2.
What are the key properties of azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109297545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).