N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide

C12H11N3O4 — CID 2975559

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O4/c1-19-9-5-3-2-4-7(9)10(16)14-8-6-13-12(18)15-11(8)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyVDLRWLUZPBRQHU-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.32
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide (PubChem CID 2975559) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide
PubChem CID2975559
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O4/c1-19-9-5-3-2-4-7(9)10(16)14-8-6-13-12(18)15-11(8)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyVDLRWLUZPBRQHU-UHFFFAOYSA-N
XLogP0.32
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide (CID 2975559) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide?
The InChIKey is VDLRWLUZPBRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-9-5-3-2-4-7(9)10(16)14-8-6-13-12(18)15-11(8)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide has a molecular weight of 261.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 2975559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).