[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone

C16H22N4O4 — CID 110253448

IUPAC[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N4O4/c1-12-13(9-17-11-18-12)14(21)20-5-8-24-16(2,10-20)15(22)19-3-6-23-7-4-19/h9,11H,3-8,10H2,1-2H3
InChIKeyPOXWDYJTXCNYIB-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.13
Rot. Bonds2

About [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone

[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 110253448) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID110253448
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N4O4/c1-12-13(9-17-11-18-12)14(21)20-5-8-24-16(2,10-20)15(22)19-3-6-23-7-4-19/h9,11H,3-8,10H2,1-2H3
InChIKeyPOXWDYJTXCNYIB-UHFFFAOYSA-N
XLogP-0.13
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 110253411
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 92632639
2,1,3-benzothiadiazol-5-yl-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]methanone
CID 110253410
(4-methylpyrimidin-5-yl)-[(3R)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95867216
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
CID 74240903
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
4'-(4-methylpyrimidine-5-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,2'-morpholine]-6-one
CID 110064271
[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146823

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone (CID 110253448) is [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CCOC(C)(C(=O)N2CCOCC2)C1.
What is the InChIKey of [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is POXWDYJTXCNYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-12-13(9-17-11-18-12)14(21)20-5-8-24-16(2,10-20)15(22)19-3-6-23-7-4-19/h9,11H,3-8,10H2,1-2H3.
What are the key properties of [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 110253448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).