N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H14N4O3 — CID 43601896

IUPACN-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCNCc1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C13H14N4O3/c1-14-7-8-3-2-4-9(5-8)15-12(19)10-6-11(18)17-13(20)16-10/h2-6,14H,7H2,1H3,(H,15,19)(H2,16,17,18,20)
InChIKeySQCDWZJKKXBNAR-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.03
Rot. Bonds4

About N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43601896) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43601896
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCNCc1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C13H14N4O3/c1-14-7-8-3-2-4-9(5-8)15-12(19)10-6-11(18)17-13(20)16-10/h2-6,14H,7H2,1H3,(H,15,19)(H2,16,17,18,20)
InChIKeySQCDWZJKKXBNAR-UHFFFAOYSA-N
XLogP0.03
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60805045
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 55167232
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43601896) is N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CNCc1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is SQCDWZJKKXBNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-14-7-8-3-2-4-9(5-8)15-12(19)10-6-11(18)17-13(20)16-10/h2-6,14H,7H2,1H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43601896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).