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

C15H20N6O2 — CID 71872859

IUPAC(2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C(=O)N2CCOC(c3nc(C(C)C)n[nH]3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-9(2)13-18-14(20-19-13)12-8-21(6-7-23-12)15(22)11-4-5-16-10(3)17-11/h4-5,9,12H,6-8H2,1-3H3,(H,18,19,20)
InChIKeyNJBKSTYDSROGKV-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.24
Rot. Bonds3

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

(2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71872859) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71872859
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCc1nccc(C(=O)N2CCOC(c3nc(C(C)C)n[nH]3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-9(2)13-18-14(20-19-13)12-8-21(6-7-23-12)15(22)11-4-5-16-10(3)17-11/h4-5,9,12H,6-8H2,1-3H3,(H,18,19,20)
InChIKeyNJBKSTYDSROGKV-UHFFFAOYSA-N
XLogP1.24
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.24
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-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71872859) is (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is Cc1nccc(C(=O)N2CCOC(c3nc(C(C)C)n[nH]3)C2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is NJBKSTYDSROGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9(2)13-18-14(20-19-13)12-8-21(6-7-23-12)15(22)11-4-5-16-10(3)17-11/h4-5,9,12H,6-8H2,1-3H3,(H,18,19,20).
What are the key properties of (2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
(2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of 1.24, 3 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-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71872859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).