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

C10H10N6S — CID 18507210

IUPAC2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(-n2cc(C)cn2)c1C#N
InChIInChI=1S/C10H10N6S/c1-6-4-13-16(5-6)8-7(3-11)9(17-2)15-10(12)14-8/h4-5H,1-2H3,(H2,12,14,15)
InChIKeyXVIQVKYEIQQOIP-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.15
Rot. Bonds2

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

2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 18507210) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID18507210
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)nc(-n2cc(C)cn2)c1C#N
InChIInChI=1S/C10H10N6S/c1-6-4-13-16(5-6)8-7(3-11)9(17-2)15-10(12)14-8/h4-5H,1-2H3,(H2,12,14,15)
InChIKeyXVIQVKYEIQQOIP-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 18507210) is 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(N)nc(-n2cc(C)cn2)c1C#N.
What is the InChIKey of 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is XVIQVKYEIQQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-6-4-13-16(5-6)8-7(3-11)9(17-2)15-10(12)14-8/h4-5H,1-2H3,(H2,12,14,15).
What are the key properties of 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile?
2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 246.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18507210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).