N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide

C12H11N3O4 — CID 3367770

IUPACN-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-7(3-5-8)11(17)13-9-6-10(16)15-12(18)14-9/h2-6H,1H3,(H3,13,14,15,16,17,18)
InChIKeyUAHBREXOZYYRQE-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.32
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide (PubChem CID 3367770) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
PubChem CID3367770
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-7(3-5-8)11(17)13-9-6-10(16)15-12(18)14-9/h2-6H,1H3,(H3,13,14,15,16,17,18)
InChIKeyUAHBREXOZYYRQE-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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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 3436100
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 5080941
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
4-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752921
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
CID 4152349
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide (CID 3367770) is N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide?
The InChIKey is UAHBREXOZYYRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-8-4-2-7(3-5-8)11(17)13-9-6-10(16)15-12(18)14-9/h2-6H,1H3,(H3,13,14,15,16,17,18).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide?
N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-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-6-yl)-4-methoxybenzamide is sourced from PubChem (CID 3367770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).