2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine

C13H17N5O — CID 133404065

IUPAC2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
SMILESCc1cnc(N2CCOC(c3cnn(C)c3)C2)nc1
InChIInChI=1S/C13H17N5O/c1-10-5-14-13(15-6-10)18-3-4-19-12(9-18)11-7-16-17(2)8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNOIYZBYNAGYWCF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.10
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine

2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine (PubChem CID 133404065) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
PubChem CID133404065
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
SMILESCc1cnc(N2CCOC(c3cnn(C)c3)C2)nc1
InChIInChI=1S/C13H17N5O/c1-10-5-14-13(15-6-10)18-3-4-19-12(9-18)11-7-16-17(2)8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNOIYZBYNAGYWCF-UHFFFAOYSA-N
XLogP1.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dimethylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045930
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
4-(8-chloro-2-methylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185349
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine (CID 133404065) is 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine is Cc1cnc(N2CCOC(c3cnn(C)c3)C2)nc1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine?
The InChIKey is NOIYZBYNAGYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-5-14-13(15-6-10)18-3-4-19-12(9-18)11-7-16-17(2)8-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine?
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 133404065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).