2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine

C13H17N5O — CID 132775431

IUPAC2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
SMILESCc1nccc(N2CCOC(c3ncc(C)[nH]3)C2)n1
InChIInChI=1S/C13H17N5O/c1-9-7-15-13(16-9)11-8-18(5-6-19-11)12-3-4-14-10(2)17-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyQCVUPZYKCPTVFP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds2

About 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine

2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine (PubChem CID 132775431) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
PubChem CID132775431
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
SMILESCc1nccc(N2CCOC(c3ncc(C)[nH]3)C2)n1
InChIInChI=1S/C13H17N5O/c1-9-7-15-13(16-9)11-8-18(5-6-19-11)12-3-4-14-10(2)17-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyQCVUPZYKCPTVFP-UHFFFAOYSA-N
XLogP1.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960812
(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960811
2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
CID 110104269
(2R)-2-[(4-methoxyphenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 124990787
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
2-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 110105040
2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 102604304
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124948100
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine (CID 132775431) is 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine is Cc1nccc(N2CCOC(c3ncc(C)[nH]3)C2)n1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine?
The InChIKey is QCVUPZYKCPTVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-15-13(16-9)11-8-18(5-6-19-11)12-3-4-14-10(2)17-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine?
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 132775431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).