1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile

C10H11N5S — CID 175688656

IUPAC1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile
SMILESCSC1=C(C#N)C=NC(c2cn[nH]c2)N1C
InChIInChI=1S/C10H11N5S/c1-15-9(8-5-13-14-6-8)12-4-7(3-11)10(15)16-2/h4-6,9H,1-2H3,(H,13,14)
InChIKeyMNVGMKVNWZQNHJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.52
Rot. Bonds2

About 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile

1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile (PubChem CID 175688656) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile
PubChem CID175688656
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile
SMILESCSC1=C(C#N)C=NC(c2cn[nH]c2)N1C
InChIInChI=1S/C10H11N5S/c1-15-9(8-5-13-14-6-8)12-4-7(3-11)10(15)16-2/h4-6,9H,1-2H3,(H,13,14)
InChIKeyMNVGMKVNWZQNHJ-UHFFFAOYSA-N
XLogP1.52
TPSA68.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile?
The IUPAC name of 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile (CID 175688656) is 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile?
The canonical SMILES for 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile is CSC1=C(C#N)C=NC(c2cn[nH]c2)N1C.
What is the InChIKey of 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile?
The InChIKey is MNVGMKVNWZQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-15-9(8-5-13-14-6-8)12-4-7(3-11)10(15)16-2/h4-6,9H,1-2H3,(H,13,14).
What are the key properties of 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile?
1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 175688656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).