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

C13H13N3O4 — CID 84550021

IUPACN-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O4/c1-15-7-10(12(19)16(2)13(15)20)11(18)14-8-3-5-9(17)6-4-8/h3-7,17H,1-2H3,(H,14,18)
InChIKeySQYVEHPGFACKME-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.04
Rot. Bonds2

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

N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84550021) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84550021
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O4/c1-15-7-10(12(19)16(2)13(15)20)11(18)14-8-3-5-9(17)6-4-8/h3-7,17H,1-2H3,(H,14,18)
InChIKeySQYVEHPGFACKME-UHFFFAOYSA-N
XLogP0.04
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84551318
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84549660
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
CID 84550997
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
CID 81430473
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037
1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84557715
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
CID 84558327
5-(2,2-difluoroacetyl)-1,3-dimethylpyrimidine-2,4-dione
CID 103513568

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 84550021) is N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)Nc2ccc(O)cc2)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is SQYVEHPGFACKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-15-7-10(12(19)16(2)13(15)20)11(18)14-8-3-5-9(17)6-4-8/h3-7,17H,1-2H3,(H,14,18).
What are the key properties of N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84550021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).