2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine

C10H8F3N3O2S — CID 134201821

IUPAC2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-c2ccc[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O2S/c1-19(17,18)9-15-7(6-3-2-4-14-6)5-8(16-9)10(11,12)13/h2-5,14H,1H3
InChIKeyYDZWWVWWWBGWEI-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.89
Rot. Bonds2

About 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine

2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 134201821) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID134201821
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-c2ccc[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O2S/c1-19(17,18)9-15-7(6-3-2-4-14-6)5-8(16-9)10(11,12)13/h2-5,14H,1H3
InChIKeyYDZWWVWWWBGWEI-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine (CID 134201821) is 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1nc(-c2ccc[nH]2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is YDZWWVWWWBGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-19(17,18)9-15-7(6-3-2-4-14-6)5-8(16-9)10(11,12)13/h2-5,14H,1H3.
What are the key properties of 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine?
2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 291.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134201821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).