3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

C10H12N4O2S — CID 5472765

IUPAC3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(C#N)c1=S
InChIInChI=1S/C10H12N4O2S/c1-13-9(17)7(6-11)8(12-10(13)15)14-2-4-16-5-3-14/h2-5H2,1H3,(H,12,15)
InChIKeyVVBDTHCTBNEKNN-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.15
Rot. Bonds1

About 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 5472765) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID5472765
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(C#N)c1=S
InChIInChI=1S/C10H12N4O2S/c1-13-9(17)7(6-11)8(12-10(13)15)14-2-4-16-5-3-14/h2-5H2,1H3,(H,12,15)
InChIKeyVVBDTHCTBNEKNN-UHFFFAOYSA-N
XLogP0.15
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
CID 15005318
5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
CID 54695416
5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile
CID 2772193
3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione
CID 840608
6-chloro-3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 119031105
methane;morpholine;8-morpholin-4-yl-6-sulfanylidene-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
CID 158647344
1,3-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)-2,6-dioxopyrimidine-5-carbonitrile
CID 133408511
4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile
CID 100771213
3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3471119
2-[5-[(5-cyano-1,4-dimethyl-2-morpholin-4-yl-6-oxo-3-pyridinyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 5264121
4-(1,4-oxazepan-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 87799217
5-bromo-3-methyl-7-morpholin-4-yl-1H-benzimidazol-2-one
CID 171809546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 5472765) is 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is Cn1c(=O)[nH]c(N2CCOCC2)c(C#N)c1=S.
What is the InChIKey of 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is VVBDTHCTBNEKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-13-9(17)7(6-11)8(12-10(13)15)14-2-4-16-5-3-14/h2-5H2,1H3,(H,12,15).
What are the key properties of 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 252.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 5472765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).