6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid

C13H19N3O3S — CID 43169275

IUPAC6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCCN2CCCCC2)c1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-9-10(12(17)18)11(15-13(19)14-9)20-8-7-16-5-3-2-4-6-16/h2-8H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyDHIGRPHLPRTHAK-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.35
Rot. Bonds5

About 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid

6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 43169275) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID43169275
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCCN2CCCCC2)c1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-9-10(12(17)18)11(15-13(19)14-9)20-8-7-16-5-3-2-4-6-16/h2-8H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyDHIGRPHLPRTHAK-UHFFFAOYSA-N
XLogP1.35
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

Ethyl 6-methyl-2-oxo-4-((2-(piperidin-1-yl)ethyl)thio)-1,2-dihydropyrimidine-5-carboxylate
CID 7585642
ethyl 6-methyl-2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidine-5-carboxylate
CID 7585625
ethyl 6-methyl-2-oxo-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylate
CID 7585641
6-methyl-2-oxo-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43169271
6-methyl-2-oxo-4-[1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43169272
6-methyl-4-(2-morpholin-4-ylethylsulfanyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169279
6-methyl-2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43169280
4-[2-(diethylamino)ethylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169296
6-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169940
4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43309393
6-methyl-2-oxo-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350609
4-hexylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350613

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid (CID 43169275) is 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(SCCN2CCCCC2)c1C(=O)O.
What is the InChIKey of 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is DHIGRPHLPRTHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-10(12(17)18)11(15-13(19)14-9)20-8-7-16-5-3-2-4-6-16/h2-8H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43169275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).