methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine

C11H17N3O4S — CID 145172342

IUPACmethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine
SMILESC1COCCN1.COC(=O)c1cnc(SC)[nH]c1=O
InChIInChI=1S/C7H8N2O3S.C4H9NO/c1-12-6(11)4-3-8-7(13-2)9-5(4)10;1-3-6-4-2-5-1/h3H,1-2H3,(H,8,9,10);5H,1-4H2
InChIKeyYKPQCINOYOSNCU-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.12
Rot. Bonds2

About methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine

methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine (PubChem CID 145172342) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine.

Molecular Properties

Compound Namemethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine
PubChem CID145172342
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine
SMILESC1COCCN1.COC(=O)c1cnc(SC)[nH]c1=O
InChIInChI=1S/C7H8N2O3S.C4H9NO/c1-12-6(11)4-3-8-7(13-2)9-5(4)10;1-3-6-4-2-5-1/h3H,1-2H3,(H,8,9,10);5H,1-4H2
InChIKeyYKPQCINOYOSNCU-UHFFFAOYSA-N
XLogP-0.12
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine?
The IUPAC name of methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine (CID 145172342) is methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine.
What is the SMILES notation for methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine?
The canonical SMILES for methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine is C1COCCN1.COC(=O)c1cnc(SC)[nH]c1=O.
What is the InChIKey of methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine?
The InChIKey is YKPQCINOYOSNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S.C4H9NO/c1-12-6(11)4-3-8-7(13-2)9-5(4)10;1-3-6-4-2-5-1/h3H,1-2H3,(H,8,9,10);5H,1-4H2.
What are the key properties of methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine?
methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine has a molecular weight of 287.34 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;morpholine is sourced from PubChem (CID 145172342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).