(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C17H19N3O4 — CID 136561116

IUPAC(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCCC1CN(C(=O)c2nc(OC)cc(OC)n2)c2ccccc2O1
InChIInChI=1S/C17H19N3O4/c1-4-11-10-20(12-7-5-6-8-13(12)24-11)17(21)16-18-14(22-2)9-15(19-16)23-3/h5-9,11H,4,10H2,1-3H3
InChIKeyAHRMOESDDSMHBE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.31
Rot. Bonds4

About (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 136561116) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID136561116
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCCC1CN(C(=O)c2nc(OC)cc(OC)n2)c2ccccc2O1
InChIInChI=1S/C17H19N3O4/c1-4-11-10-20(12-7-5-6-8-13(12)24-11)17(21)16-18-14(22-2)9-15(19-16)23-3/h5-9,11H,4,10H2,1-3H3
InChIKeyAHRMOESDDSMHBE-UHFFFAOYSA-N
XLogP2.31
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 136561116) is (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is CCC1CN(C(=O)c2nc(OC)cc(OC)n2)c2ccccc2O1.
What is the InChIKey of (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is AHRMOESDDSMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-11-10-20(12-7-5-6-8-13(12)24-11)17(21)16-18-14(22-2)9-15(19-16)23-3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 136561116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).