N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C21H21N3O7 — CID 41028331

IUPACN,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(OC)c(OC)c3)c2=O)cc1OC
InChIInChI=1S/C21H21N3O7/c1-28-15-7-5-12(9-17(15)30-3)23-19(25)14-11-22-21(27)24(20(14)26)13-6-8-16(29-2)18(10-13)31-4/h5-11H,1-4H3,(H,22,27)(H,23,25)
InChIKeyMBPDCABQDNWHCW-UHFFFAOYSA-N
MW427.41 g/mol
LogP1.81
Rot. Bonds7

About N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 41028331) has the molecular formula C21H21N3O7 and a molecular weight of 427.41 g/mol. Its IUPAC name is N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID41028331
Molecular FormulaC21H21N3O7
Molecular Weight427.41 g/mol
Exact Mass427.14
IUPAC NameN,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(OC)c(OC)c3)c2=O)cc1OC
InChIInChI=1S/C21H21N3O7/c1-28-15-7-5-12(9-17(15)30-3)23-19(25)14-11-22-21(27)24(20(14)26)13-6-8-16(29-2)18(10-13)31-4/h5-11H,1-4H3,(H,22,27)(H,23,25)
InChIKeyMBPDCABQDNWHCW-UHFFFAOYSA-N
XLogP1.81
TPSA120.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137494
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 80642770
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362

Frequently Asked Questions

What is the IUPAC name of N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 41028331) is N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(OC)c(OC)c3)c2=O)cc1OC.
What is the InChIKey of N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MBPDCABQDNWHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O7/c1-28-15-7-5-12(9-17(15)30-3)23-19(25)14-11-22-21(27)24(20(14)26)13-6-8-16(29-2)18(10-13)31-4/h5-11H,1-4H3,(H,22,27)(H,23,25).
What are the key properties of N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 41028331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).