5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine

C10H11ClF3N7O2S — CID 146271187

IUPAC5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine
SMILESCc1nn(CC(F)(F)F)cc1Nc1ncc(Cl)c(NS(N)(=O)=O)n1
InChIInChI=1S/C10H11ClF3N7O2S/c1-5-7(3-21(19-5)4-10(12,13)14)17-9-16-2-6(11)8(18-9)20-24(15,22)23/h2-3H,4H2,1H3,(H2,15,22,23)(H2,16,17,18,20)
InChIKeyVEDSFFLYOUVLGI-UHFFFAOYSA-N
MW385.76 g/mol
LogP1.56
Rot. Bonds5

About 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine

5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine (PubChem CID 146271187) has the molecular formula C10H11ClF3N7O2S and a molecular weight of 385.76 g/mol. Its IUPAC name is 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine
PubChem CID146271187
Molecular FormulaC10H11ClF3N7O2S
Molecular Weight385.76 g/mol
Exact Mass385.03
IUPAC Name5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine
SMILESCc1nn(CC(F)(F)F)cc1Nc1ncc(Cl)c(NS(N)(=O)=O)n1
InChIInChI=1S/C10H11ClF3N7O2S/c1-5-7(3-21(19-5)4-10(12,13)14)17-9-16-2-6(11)8(18-9)20-24(15,22)23/h2-3H,4H2,1H3,(H2,15,22,23)(H2,16,17,18,20)
InChIKeyVEDSFFLYOUVLGI-UHFFFAOYSA-N
XLogP1.56
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine?
The IUPAC name of 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine (CID 146271187) is 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine.
What is the SMILES notation for 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine?
The canonical SMILES for 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine is Cc1nn(CC(F)(F)F)cc1Nc1ncc(Cl)c(NS(N)(=O)=O)n1.
What is the InChIKey of 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine?
The InChIKey is VEDSFFLYOUVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N7O2S/c1-5-7(3-21(19-5)4-10(12,13)14)17-9-16-2-6(11)8(18-9)20-24(15,22)23/h2-3H,4H2,1H3,(H2,15,22,23)(H2,16,17,18,20).
What are the key properties of 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine?
5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine has a molecular weight of 385.76 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-(sulfamoylamino)pyrimidine is sourced from PubChem (CID 146271187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).