4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile

C9H12N4S — CID 130541106

IUPAC4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile
SMILESCSC(C)CNc1ncncc1C#N
InChIInChI=1S/C9H12N4S/c1-7(14-2)4-12-9-8(3-10)5-11-6-13-9/h5-7H,4H2,1-2H3,(H,11,12,13)
InChIKeyWKMAHGAVEAHBCF-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.51
Rot. Bonds4

About 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile

4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile (PubChem CID 130541106) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile
PubChem CID130541106
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile
SMILESCSC(C)CNc1ncncc1C#N
InChIInChI=1S/C9H12N4S/c1-7(14-2)4-12-9-8(3-10)5-11-6-13-9/h5-7H,4H2,1-2H3,(H,11,12,13)
InChIKeyWKMAHGAVEAHBCF-UHFFFAOYSA-N
XLogP1.51
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-hydroxyethyl)pentylamino]pyrimidine-5-carbonitrile
CID 112755216
4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile
CID 130541128
2-[(5-cyanopyrimidin-4-yl)amino]acetic acid
CID 130541021
3-methyl-2-(2-methylsulfanylpropylamino)benzonitrile
CID 107107231
4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 112755989
2-[[(5-cyanopyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 112755018
5-bromo-4-N-(2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072744
4-[(2-methylsulfanylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265434
7-[(5-cyanopyrimidin-4-yl)amino]heptanoic acid
CID 112754997
4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbonitrile
CID 166241080
3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 114836097
5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115756039

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile (CID 130541106) is 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile is CSC(C)CNc1ncncc1C#N.
What is the InChIKey of 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile?
The InChIKey is WKMAHGAVEAHBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7(14-2)4-12-9-8(3-10)5-11-6-13-9/h5-7H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile?
4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 130541106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).