N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide

C14H14N4O4 — CID 138376664

IUPACN-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide
SMILES[H]/N=C(\NC(=O)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H14N4O4/c1-17-12(20)9(13(21)18(2)14(17)22)10(15)16-11(19)8-6-4-3-5-7-8/h3-7,20H,1-2H3,(H2,15,16,19)
InChIKeyXPXJDQPZKFAFGR-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.46
Rot. Bonds2

About N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide

N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide (PubChem CID 138376664) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide
PubChem CID138376664
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide
SMILES[H]/N=C(\NC(=O)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H14N4O4/c1-17-12(20)9(13(21)18(2)14(17)22)10(15)16-11(19)8-6-4-3-5-7-8/h3-7,20H,1-2H3,(H2,15,16,19)
InChIKeyXPXJDQPZKFAFGR-UHFFFAOYSA-N
XLogP-0.46
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide?
The IUPAC name of N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide (CID 138376664) is N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide?
The canonical SMILES for N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide is [H]/N=C(\NC(=O)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide?
The InChIKey is XPXJDQPZKFAFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-17-12(20)9(13(21)18(2)14(17)22)10(15)16-11(19)8-6-4-3-5-7-8/h3-7,20H,1-2H3,(H2,15,16,19).
What are the key properties of N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide?
N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide has a molecular weight of 302.29 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidoyl)benzamide is sourced from PubChem (CID 138376664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).