4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile

C10H10N6S — CID 142606354

IUPAC4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(-c2cnn(C)c2)nc(N)c1C#N
InChIInChI=1S/C10H10N6S/c1-16-5-6(4-13-16)9-14-8(12)7(3-11)10(15-9)17-2/h4-5H,1-2H3,(H2,12,14,15)
InChIKeyBSMGLEVFOAHNSS-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.05
Rot. Bonds2

About 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile

4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 142606354) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID142606354
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(-c2cnn(C)c2)nc(N)c1C#N
InChIInChI=1S/C10H10N6S/c1-16-5-6(4-13-16)9-14-8(12)7(3-11)10(15-9)17-2/h4-5H,1-2H3,(H2,12,14,15)
InChIKeyBSMGLEVFOAHNSS-UHFFFAOYSA-N
XLogP1.05
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 142606354) is 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(-c2cnn(C)c2)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is BSMGLEVFOAHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-16-5-6(4-13-16)9-14-8(12)7(3-11)10(15-9)17-2/h4-5H,1-2H3,(H2,12,14,15).
What are the key properties of 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 246.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylpyrazol-4-yl)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 142606354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).