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

C16H20N6O2 — CID 71872930

IUPAC(2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-2-13-19-15(21-20-13)12-9-22(7-8-24-12)16(23)11-5-6-17-14(18-11)10-3-4-10/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,20,21)
InChIKeyFFTPZJCXKVAXLI-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.25
Rot. Bonds4

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

(2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 71872930) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID71872930
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-2-13-19-15(21-20-13)12-9-22(7-8-24-12)16(23)11-5-6-17-14(18-11)10-3-4-10/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,20,21)
InChIKeyFFTPZJCXKVAXLI-UHFFFAOYSA-N
XLogP1.25
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.25
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-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 71872930) is (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc(C2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n[nH]1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is FFTPZJCXKVAXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-13-19-15(21-20-13)12-9-22(7-8-24-12)16(23)11-5-6-17-14(18-11)10-3-4-10/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,20,21).
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 1.25, 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-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71872930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).