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

C12H13N3O4 — CID 868855

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H13N3O4/c1-7-8(4-5-19-7)11(17)13-9-6-10(16)15(3)12(18)14(9)2/h4-6H,1-3H3,(H,13,17)
InChIKeyMLFJBOWJTKIBCY-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.24
Rot. Bonds2

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

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide (PubChem CID 868855) 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)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide
PubChem CID868855
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H13N3O4/c1-7-8(4-5-19-7)11(17)13-9-6-10(16)15(3)12(18)14(9)2/h4-6H,1-3H3,(H,13,17)
InChIKeyMLFJBOWJTKIBCY-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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Related Compounds

4H,5H-furo(3,2-c)pyridin-4-one
CID 288746
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 24686540
2-methyl-N-{4-[(2-methyl-3-furoyl)amino]butyl}-3-furamide
CID 1744516
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 24819678
2-methyl-N-(1,2,2-trimethylpropyl)-3-furamide
CID 2970515
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
CID 9441725
1-Methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 75462305
2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 51090831
N,N-bis(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 53511122
2-methyl-N-[2-(morpholin-4-yl)ethyl]furan-3-carboxamide
CID 831628
2-methyl-N-(piperidin-4-yl)furan-3-carboxamide
CID 16784605
2-methyl-N-(1-methylpiperidin-4-yl)furan-3-carboxamide
CID 1246144

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide (CID 868855) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide?
The InChIKey is MLFJBOWJTKIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-8(4-5-19-7)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)-2-methylfuran-3-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-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)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).