2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione

C14H13N3O3 — CID 165370529

IUPAC2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESCN1C(=O)COc2cc3nc(C4CC4)[nH]c(=O)c3cc21
InChIInChI=1S/C14H13N3O3/c1-17-10-4-8-9(5-11(10)20-6-12(17)18)15-13(7-2-3-7)16-14(8)19/h4-5,7H,2-3,6H2,1H3,(H,15,16,19)
InChIKeyHYIQJPGFSDYWGV-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.16
Rot. Bonds1

About 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione

2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione (PubChem CID 165370529) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
PubChem CID165370529
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESCN1C(=O)COc2cc3nc(C4CC4)[nH]c(=O)c3cc21
InChIInChI=1S/C14H13N3O3/c1-17-10-4-8-9(5-11(10)20-6-12(17)18)15-13(7-2-3-7)16-14(8)19/h4-5,7H,2-3,6H2,1H3,(H,15,16,19)
InChIKeyHYIQJPGFSDYWGV-UHFFFAOYSA-N
XLogP1.16
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione with MolForge

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Related Compounds

6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 156537242
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 169171334
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136617658
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 59174995
4-methyl-6-(4-oxocyclohexyl)-1,4-benzoxazin-3-one
CID 116963361
7-cyclopropyl-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
CID 123161287
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one
CID 82230734
2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098064
6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 133428353
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The IUPAC name of 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione (CID 165370529) is 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione.
What is the SMILES notation for 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The canonical SMILES for 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione is CN1C(=O)COc2cc3nc(C4CC4)[nH]c(=O)c3cc21.
What is the InChIKey of 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The InChIKey is HYIQJPGFSDYWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-10-4-8-9(5-11(10)20-6-12(17)18)15-13(7-2-3-7)16-14(8)19/h4-5,7H,2-3,6H2,1H3,(H,15,16,19).
What are the key properties of 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione has a molecular weight of 271.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione is sourced from PubChem (CID 165370529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).