N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide

C12H11N3O4 — CID 808737

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)10(16)14-9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyIVEPJTNIZJFBFM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.32
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide (PubChem CID 808737) 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)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide
PubChem CID808737
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)10(16)14-9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyIVEPJTNIZJFBFM-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)-3-methoxybenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide (CID 808737) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxybenzamide?
The InChIKey is IVEPJTNIZJFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)10(16)14-9-6-13-12(18)15-11(9)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)-3-methoxybenzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-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)-3-methoxybenzamide is sourced from PubChem (CID 808737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).