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

C17H22N6O2 — CID 71872863

IUPAC(2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1
InChIInChI=1S/C17H22N6O2/c1-10(2)14-20-16(22-21-14)13-9-23(7-8-25-13)17(24)12-5-6-18-15(19-12)11-3-4-11/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,20,21,22)
InChIKeyDDWIKHGMUMURBD-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.81
Rot. Bonds4

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

(2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71872863) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71872863
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1
InChIInChI=1S/C17H22N6O2/c1-10(2)14-20-16(22-21-14)13-9-23(7-8-25-13)17(24)12-5-6-18-15(19-12)11-3-4-11/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,20,21,22)
InChIKeyDDWIKHGMUMURBD-UHFFFAOYSA-N
XLogP1.81
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71872863) is (2-cyclopropylpyrimidin-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-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c(C2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is DDWIKHGMUMURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10(2)14-20-16(22-21-14)13-9-23(7-8-25-13)17(24)12-5-6-18-15(19-12)11-3-4-11/h5-6,10-11,13H,3-4,7-9H2,1-2H3,(H,20,21,22).
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71872863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).