azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone

C16H24N4O2 — CID 20959621

IUPACazepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESCc1nc(N2CCOCC2)ncc1C(=O)N1CCCCCC1
InChIInChI=1S/C16H24N4O2/c1-13-14(15(21)19-6-4-2-3-5-7-19)12-17-16(18-13)20-8-10-22-11-9-20/h12H,2-11H2,1H3
InChIKeyUKWXLNMMKSDONI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.64
Rot. Bonds2

About azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone

azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 20959621) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID20959621
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nameazepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESCc1nc(N2CCOCC2)ncc1C(=O)N1CCCCCC1
InChIInChI=1S/C16H24N4O2/c1-13-14(15(21)19-6-4-2-3-5-7-19)12-17-16(18-13)20-8-10-22-11-9-20/h12H,2-11H2,1H3
InChIKeyUKWXLNMMKSDONI-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56873874
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 72862751
(5R)-9-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95721539
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
CID 130120199
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 20959621) is azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone is Cc1nc(N2CCOCC2)ncc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is UKWXLNMMKSDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-14(15(21)19-6-4-2-3-5-7-19)12-17-16(18-13)20-8-10-22-11-9-20/h12H,2-11H2,1H3.
What are the key properties of azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 20959621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).