[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone

C16H17N3O3 — CID 56921253

IUPAC[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
SMILESCc1ccnc(Oc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C16H17N3O3/c1-12-5-6-17-16(18-12)22-14-4-2-3-13(11-14)15(20)19-7-9-21-10-8-19/h2-6,11H,7-10H2,1H3
InChIKeyINCFIXMCHYFRTQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.05
Rot. Bonds3

About [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone

[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone (PubChem CID 56921253) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
PubChem CID56921253
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
SMILESCc1ccnc(Oc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C16H17N3O3/c1-12-5-6-17-16(18-12)22-14-4-2-3-13(11-14)15(20)19-7-9-21-10-8-19/h2-6,11H,7-10H2,1H3
InChIKeyINCFIXMCHYFRTQ-UHFFFAOYSA-N
XLogP2.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 13176465
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 136530461
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone
CID 177024710
[(6S)-6-(isoquinolin-6-ylmethyl)-1,4-oxazepan-4-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 124940655
[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149400
[(6R)-6-(isoquinolin-6-ylmethyl)-1,4-oxazepan-4-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 124940656
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone (CID 56921253) is [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone is Cc1ccnc(Oc2cccc(C(=O)N3CCOCC3)c2)n1.
What is the InChIKey of [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is INCFIXMCHYFRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12-5-6-17-16(18-12)22-14-4-2-3-13(11-14)15(20)19-7-9-21-10-8-19/h2-6,11H,7-10H2,1H3.
What are the key properties of [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone?
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 299.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56921253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).