N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide

C12H19N3O3S — CID 61424847

IUPACN-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CCO)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O3S/c1-4-5-15(6-7-16)11(17)9-8(2)13-12(18)14-10(9)19-3/h16H,4-7H2,1-3H3,(H,13,14,18)
InChIKeyWKPXUACAILYAHE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.64
Rot. Bonds6

About N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide

N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide (PubChem CID 61424847) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide
PubChem CID61424847
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CCO)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O3S/c1-4-5-15(6-7-16)11(17)9-8(2)13-12(18)14-10(9)19-3/h16H,4-7H2,1-3H3,(H,13,14,18)
InChIKeyWKPXUACAILYAHE-UHFFFAOYSA-N
XLogP0.64
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide (CID 61424847) is N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide is CCCN(CCO)C(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The InChIKey is WKPXUACAILYAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-5-15(6-7-16)11(17)9-8(2)13-12(18)14-10(9)19-3/h16H,4-7H2,1-3H3,(H,13,14,18).
What are the key properties of N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 61424847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).