4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile

C11H9N5S — CID 2726869

IUPAC4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(-c2ccccn2)nc(N)c1C#N
InChIInChI=1S/C11H9N5S/c1-17-11-7(6-12)9(13)15-10(16-11)8-4-2-3-5-14-8/h2-5H,1H3,(H2,13,15,16)
InChIKeyLWEDAIZMWCWTHM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.71
Rot. Bonds2

About 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile

4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile (PubChem CID 2726869) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
PubChem CID2726869
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(-c2ccccn2)nc(N)c1C#N
InChIInChI=1S/C11H9N5S/c1-17-11-7(6-12)9(13)15-10(16-11)8-4-2-3-5-14-8/h2-5H,1H3,(H2,13,15,16)
InChIKeyLWEDAIZMWCWTHM-UHFFFAOYSA-N
XLogP1.71
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile (CID 2726869) is 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile is CSc1nc(-c2ccccn2)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The InChIKey is LWEDAIZMWCWTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-17-11-7(6-12)9(13)15-10(16-11)8-4-2-3-5-14-8/h2-5H,1H3,(H2,13,15,16).
What are the key properties of 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile?
4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile has a molecular weight of 243.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-2-pyridin-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2726869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).