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

C15H15N3O3 — CID 156537242

IUPAC6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)N(CC1CC1)C(=O)CO3
InChIInChI=1S/C15H15N3O3/c1-8-16-11-5-13-12(4-10(11)15(20)17-8)18(6-9-2-3-9)14(19)7-21-13/h4-5,9H,2-3,6-7H2,1H3,(H,16,17,20)
InChIKeyBRXJQJBQAAJGDG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds2

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

6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione (PubChem CID 156537242) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
PubChem CID156537242
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)N(CC1CC1)C(=O)CO3
InChIInChI=1S/C15H15N3O3/c1-8-16-11-5-13-12(4-10(11)15(20)17-8)18(6-9-2-3-9)14(19)7-21-13/h4-5,9H,2-3,6-7H2,1H3,(H,16,17,20)
InChIKeyBRXJQJBQAAJGDG-UHFFFAOYSA-N
XLogP1.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 169171334
2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 165370529
6-amino-4-(piperidin-4-ylmethyl)-1,4-benzoxazin-3-one
CID 115209824
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
methyl 4-(cyclobutylmethyl)-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126655700
4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
CID 159426283
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
CID 156537248
9-chloro-8-[7-chloro-4-(cyclopropylmethyl)-3-oxo-1,4-benzoxazin-6-yl]-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-7-one
CID 90429790
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
1,6-dimethyl-7H-[1,3]oxazolo[4,5-g]quinazoline-2,8-dione
CID 156548217
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The IUPAC name of 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione (CID 156537242) is 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The canonical SMILES for 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione is Cc1nc2cc3c(cc2c(=O)[nH]1)N(CC1CC1)C(=O)CO3.
What is the InChIKey of 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
The InChIKey is BRXJQJBQAAJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-16-11-5-13-12(4-10(11)15(20)17-8)18(6-9-2-3-9)14(19)7-21-13/h4-5,9H,2-3,6-7H2,1H3,(H,16,17,20).
What are the key properties of 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione?
6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione has a molecular weight of 285.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione is sourced from PubChem (CID 156537242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).