4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile

C7H8ClN5S — CID 15273967

IUPAC4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(Cl)c(C#N)c(N(C)N)n1
InChIInChI=1S/C7H8ClN5S/c1-13(10)6-4(3-9)5(8)11-7(12-6)14-2/h10H2,1-2H3
InChIKeyRNNGHJHWRCVXKM-UHFFFAOYSA-N
MW229.70 g/mol
LogP1.03
Rot. Bonds2

About 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile

4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 15273967) has the molecular formula C7H8ClN5S and a molecular weight of 229.70 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID15273967
Molecular FormulaC7H8ClN5S
Molecular Weight229.70 g/mol
Exact Mass229.02
IUPAC Name4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(Cl)c(C#N)c(N(C)N)n1
InChIInChI=1S/C7H8ClN5S/c1-13(10)6-4(3-9)5(8)11-7(12-6)14-2/h10H2,1-2H3
InChIKeyRNNGHJHWRCVXKM-UHFFFAOYSA-N
XLogP1.03
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.70
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Butylamino)-6-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 1974076
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159
3-Amino-2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
CID 10564887
(6-Chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine
CID 123403286
1-(2,6-Dichloro-5-methylpyrimidin-4-yl)-1-methylhydrazine
CID 143765758
4-Chloro-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile
CID 3388129
6-(Dimethylamino)-4-chloro-2-methylthiopyrimidine-5-carbonitrile
CID 5221022
4-Chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 10856860
4-Amino-6-chloro-2-ethylsulfanylpyrimidine-5-carbonitrile
CID 100295039

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile (CID 15273967) is 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(Cl)c(C#N)c(N(C)N)n1.
What is the InChIKey of 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is RNNGHJHWRCVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5S/c1-13(10)6-4(3-9)5(8)11-7(12-6)14-2/h10H2,1-2H3.
What are the key properties of 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 229.70 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 15273967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).