N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride

C15H19ClN4O3 — CID 119440340

IUPACN-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1c[nH]c(=O)n(C)c1=O.Cl
InChIInChI=1S/C15H18N4O3.ClH/c1-3-16-8-10-6-4-5-7-12(10)18-13(20)11-9-17-15(22)19(2)14(11)21;/h4-7,9,16H,3,8H2,1-2H3,(H,17,22)(H,18,20);1H
InChIKeyFKNQCCKOQQDZCN-UHFFFAOYSA-N
MW338.80 g/mol
LogP0.86
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 119440340) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID119440340
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1c[nH]c(=O)n(C)c1=O.Cl
InChIInChI=1S/C15H18N4O3.ClH/c1-3-16-8-10-6-4-5-7-12(10)18-13(20)11-9-17-15(22)19(2)14(11)21;/h4-7,9,16H,3,8H2,1-2H3,(H,17,22)(H,18,20);1H
InChIKeyFKNQCCKOQQDZCN-UHFFFAOYSA-N
XLogP0.86
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43601475
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628
N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
CID 126766305
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025253
N-[2-(ethylaminomethyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119439243

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride (CID 119440340) is N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1c[nH]c(=O)n(C)c1=O.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is FKNQCCKOQQDZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.ClH/c1-3-16-8-10-6-4-5-7-12(10)18-13(20)11-9-17-15(22)19(2)14(11)21;/h4-7,9,16H,3,8H2,1-2H3,(H,17,22)(H,18,20);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119440340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).