2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile

C12H13N5S — CID 157016716

IUPAC2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile
SMILESCc1cnc(Nc2sccc2C#N)nc1N(C)C
InChIInChI=1S/C12H13N5S/c1-8-7-14-12(15-10(8)17(2)3)16-11-9(6-13)4-5-18-11/h4-5,7H,1-3H3,(H,14,15,16)
InChIKeyWWKBEIRIQOGBAP-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.53
Rot. Bonds3

About 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile

2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile (PubChem CID 157016716) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile
PubChem CID157016716
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile
SMILESCc1cnc(Nc2sccc2C#N)nc1N(C)C
InChIInChI=1S/C12H13N5S/c1-8-7-14-12(15-10(8)17(2)3)16-11-9(6-13)4-5-18-11/h4-5,7H,1-3H3,(H,14,15,16)
InChIKeyWWKBEIRIQOGBAP-UHFFFAOYSA-N
XLogP2.53
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-[[4-(2-chloro-4-pyridinyl)-1,3,5-triazin-2-yl]amino]thiophene-3-carbonitrile
CID 87372027
4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157019644
4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine
CID 50954412
2-methylthiophene-3-carbonitrile
CID 12565787
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
CID 178072823
2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol
CID 157017666
2-(propylamino)thiophene-3-carbonitrile
CID 63091632

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile?
The IUPAC name of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile (CID 157016716) is 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile?
The canonical SMILES for 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile is Cc1cnc(Nc2sccc2C#N)nc1N(C)C.
What is the InChIKey of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile?
The InChIKey is WWKBEIRIQOGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-7-14-12(15-10(8)17(2)3)16-11-9(6-13)4-5-18-11/h4-5,7H,1-3H3,(H,14,15,16).
What are the key properties of 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile?
2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile is sourced from PubChem (CID 157016716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).