N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H13N3O4 — CID 110851663

IUPACN-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O4/c1-20-9-4-2-8(3-5-9)6-14-11(17)10-7-15-13(19)16-12(10)18/h2-5,7H,6H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyLRLDNLRQIRZRIR-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.00
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 110851663) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID110851663
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O4/c1-20-9-4-2-8(3-5-9)6-14-11(17)10-7-15-13(19)16-12(10)18/h2-5,7H,6H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyLRLDNLRQIRZRIR-UHFFFAOYSA-N
XLogP0.00
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
benzene;3-[[5-[(4-methoxyphenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 145057831
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64529437

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 110851663) is N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LRLDNLRQIRZRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-20-9-4-2-8(3-5-9)6-14-11(17)10-7-15-13(19)16-12(10)18/h2-5,7H,6H2,1H3,(H,14,17)(H2,15,16,18,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110851663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).