1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide

C16H16N4O5 — CID 84550997

IUPAC1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCN1C(=O)COc2cc(NC(=O)c3cn(C)c(=O)n(C)c3=O)ccc21
InChIInChI=1S/C16H16N4O5/c1-18-7-10(15(23)20(3)16(18)24)14(22)17-9-4-5-11-12(6-9)25-8-13(21)19(11)2/h4-7H,8H2,1-3H3,(H,17,22)
InChIKeyCAWYMHSSBZODFH-UHFFFAOYSA-N
MW344.33 g/mol
LogP-0.31
Rot. Bonds2

About 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide

1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84550997) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84550997
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCN1C(=O)COc2cc(NC(=O)c3cn(C)c(=O)n(C)c3=O)ccc21
InChIInChI=1S/C16H16N4O5/c1-18-7-10(15(23)20(3)16(18)24)14(22)17-9-4-5-11-12(6-9)25-8-13(21)19(11)2/h4-7H,8H2,1-3H3,(H,17,22)
InChIKeyCAWYMHSSBZODFH-UHFFFAOYSA-N
XLogP-0.31
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550021
1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84551318
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
(E)-3-(4-aminophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)prop-2-enamide
CID 84552139
2-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-(prop-2-enoylamino)benzamide
CID 167790768
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)propanamide
CID 84563158
2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide
CID 84554768
2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
CID 118763336
1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide
CID 172662132

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide (CID 84550997) is 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide is CN1C(=O)COc2cc(NC(=O)c3cn(C)c(=O)n(C)c3=O)ccc21.
What is the InChIKey of 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is CAWYMHSSBZODFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-18-7-10(15(23)20(3)16(18)24)14(22)17-9-4-5-11-12(6-9)25-8-13(21)19(11)2/h4-7H,8H2,1-3H3,(H,17,22).
What are the key properties of 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide?
1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 344.33 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84550997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).