4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile

C7H7ClN4S — CID 10856860

IUPAC4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCNc1nc(SC)nc(Cl)c1C#N
InChIInChI=1S/C7H7ClN4S/c1-10-6-4(3-9)5(8)11-7(12-6)13-2/h1-2H3,(H,10,11,12)
InChIKeyBTLOILXQCWWBHO-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.77
Rot. Bonds2

About 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile

4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 10856860) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID10856860
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCNc1nc(SC)nc(Cl)c1C#N
InChIInChI=1S/C7H7ClN4S/c1-10-6-4(3-9)5(8)11-7(12-6)13-2/h1-2H3,(H,10,11,12)
InChIKeyBTLOILXQCWWBHO-UHFFFAOYSA-N
XLogP1.77
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile (CID 10856860) is 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile is CNc1nc(SC)nc(Cl)c1C#N.
What is the InChIKey of 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is BTLOILXQCWWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c1-10-6-4(3-9)5(8)11-7(12-6)13-2/h1-2H3,(H,10,11,12).
What are the key properties of 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 214.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methylamino)-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 10856860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).