(2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C13H16N6O2 — CID 75533787

IUPAC(2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C(=O)N2CCOC(c3n[nH]c(C)n3)C2)n1
InChIInChI=1S/C13H16N6O2/c1-8-14-4-3-10(15-8)13(20)19-5-6-21-11(7-19)12-16-9(2)17-18-12/h3-4,11H,5-7H2,1-2H3,(H,16,17,18)
InChIKeyDUURGPIABXPMEA-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.43
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75533787) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID75533787
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name(2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C(=O)N2CCOC(c3n[nH]c(C)n3)C2)n1
InChIInChI=1S/C13H16N6O2/c1-8-14-4-3-10(15-8)13(20)19-5-6-21-11(7-19)12-16-9(2)17-18-12/h3-4,11H,5-7H2,1-2H3,(H,16,17,18)
InChIKeyDUURGPIABXPMEA-UHFFFAOYSA-N
XLogP0.43
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 75533787) is (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cc1nccc(C(=O)N2CCOC(c3n[nH]c(C)n3)C2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is DUURGPIABXPMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-8-14-4-3-10(15-8)13(20)19-5-6-21-11(7-19)12-16-9(2)17-18-12/h3-4,11H,5-7H2,1-2H3,(H,16,17,18).
What are the key properties of (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 288.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75533787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).