6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid

C12H15N3O5S — CID 43350647

IUPAC6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCC(=O)N2CCOCC2)c1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-7-9(11(17)18)10(14-12(19)13-7)21-6-8(16)15-2-4-20-5-3-15/h2-6H2,1H3,(H,17,18)(H,13,14,19)
InChIKeyVKNDFKDEHCGRFU-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.27
Rot. Bonds4

About 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid

6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 43350647) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID43350647
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCC(=O)N2CCOCC2)c1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-7-9(11(17)18)10(14-12(19)13-7)21-6-8(16)15-2-4-20-5-3-15/h2-6H2,1H3,(H,17,18)(H,13,14,19)
InChIKeyVKNDFKDEHCGRFU-UHFFFAOYSA-N
XLogP-0.27
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 6-methyl-4-((2-morpholino-2-oxoethyl)thio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
CID 7585628
methyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 39969078
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-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169294
4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169950
4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43309393
4-[1-(diethylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350616
4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350619
4-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350628
6-methyl-4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350646
6-methyl-2-oxo-4-[2-oxo-2-(propylamino)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350663

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 43350647) is 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(SCC(=O)N2CCOCC2)c1C(=O)O.
What is the InChIKey of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is VKNDFKDEHCGRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-7-9(11(17)18)10(14-12(19)13-7)21-6-8(16)15-2-4-20-5-3-15/h2-6H2,1H3,(H,17,18)(H,13,14,19).
What are the key properties of 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43350647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).