2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

C8H10N4S — CID 21132452

IUPAC2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(N(C)C)nc(=S)c1C#N
InChIInChI=1S/C8H10N4S/c1-5-6(4-9)7(13)11-8(10-5)12(2)3/h1-3H3,(H,10,11,13)
InChIKeyFCLALWSRYINFQB-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.39
Rot. Bonds1

About 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 21132452) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID21132452
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(N(C)C)nc(=S)c1C#N
InChIInChI=1S/C8H10N4S/c1-5-6(4-9)7(13)11-8(10-5)12(2)3/h1-3H3,(H,10,11,13)
InChIKeyFCLALWSRYINFQB-UHFFFAOYSA-N
XLogP1.39
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 13090225
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476604
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 21132452) is 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is Cc1[nH]c(N(C)C)nc(=S)c1C#N.
What is the InChIKey of 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is FCLALWSRYINFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-6(4-9)7(13)11-8(10-5)12(2)3/h1-3H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 21132452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).