2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

C6H6N4S — CID 13090225

IUPAC2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(N)nc(=S)c1C#N
InChIInChI=1S/C6H6N4S/c1-3-4(2-7)5(11)10-6(8)9-3/h1H3,(H3,8,9,10,11)
InChIKeyAVUCWKQTPDUVIB-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.90
Rot. Bonds

About 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 13090225) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID13090225
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(N)nc(=S)c1C#N
InChIInChI=1S/C6H6N4S/c1-3-4(2-7)5(11)10-6(8)9-3/h1H3,(H3,8,9,10,11)
InChIKeyAVUCWKQTPDUVIB-UHFFFAOYSA-N
XLogP0.90
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Mercapto-2,6-dimethylpyrimidine-5-carbonitrile
CID 16227908
2-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 21132452
2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071863
6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 138676977
2-iodo-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 138700328

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 13090225) is 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is Cc1[nH]c(N)nc(=S)c1C#N.
What is the InChIKey of 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is AVUCWKQTPDUVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-3-4(2-7)5(11)10-6(8)9-3/h1H3,(H3,8,9,10,11).
What are the key properties of 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 166.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 13090225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).