1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide

C14H15N3O3 — CID 84551318

IUPAC1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-12(18)11-8-16(2)14(20)17(3)13(11)19/h4-8H,1-3H3,(H,15,18)
InChIKeyIDNULBROJGQGSH-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.64
Rot. Bonds2

About 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide

1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84551318) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84551318
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-12(18)11-8-16(2)14(20)17(3)13(11)19/h4-8H,1-3H3,(H,15,18)
InChIKeyIDNULBROJGQGSH-UHFFFAOYSA-N
XLogP0.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550021
1-methyl-N-(3-methylphenyl)pyrrole-3-carboxamide
CID 110762711
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
CID 84550997
N-(3-methylphenyl)-6-oxopyran-3-carboxamide
CID 110697514
2,5-dihydroxy-1-N,4-N-bis(3-methylphenyl)-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxamide
CID 98096567
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 84551318) is 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is IDNULBROJGQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-12(18)11-8-16(2)14(20)17(3)13(11)19/h4-8H,1-3H3,(H,15,18).
What are the key properties of 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide?
1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84551318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).