N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide

C12H13N3O4 — CID 845128

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1
InChIInChI=1S/C12H13N3O4/c1-7-4-5-8(19-7)11(17)13-9-6-10(16)15(3)12(18)14(9)2/h4-6H,1-3H3,(H,13,17)
InChIKeyOILGGZKDKPOMNA-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.24
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide (PubChem CID 845128) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide
PubChem CID845128
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1
InChIInChI=1S/C12H13N3O4/c1-7-4-5-8(19-7)11(17)13-9-6-10(16)15(3)12(18)14(9)2/h4-6H,1-3H3,(H,13,17)
InChIKeyOILGGZKDKPOMNA-UHFFFAOYSA-N
XLogP0.24
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide (CID 845128) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide?
The InChIKey is OILGGZKDKPOMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-4-5-8(19-7)11(17)13-9-6-10(16)15(3)12(18)14(9)2/h4-6H,1-3H3,(H,13,17).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 845128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).