2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole

C10H7F3N4S — CID 131963967

IUPAC2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2Cc3cncnc3C2)n1
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)8-4-18-9(16-8)17-2-6-1-14-5-15-7(6)3-17/h1,4-5H,2-3H2
InChIKeyXCMDASUGTBIJHV-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.47
Rot. Bonds1

About 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 131963967) has the molecular formula C10H7F3N4S and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID131963967
Molecular FormulaC10H7F3N4S
Molecular Weight272.25 g/mol
Exact Mass272.03
IUPAC Name2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2Cc3cncnc3C2)n1
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)8-4-18-9(16-8)17-2-6-1-14-5-15-7(6)3-17/h1,4-5H,2-3H2
InChIKeyXCMDASUGTBIJHV-UHFFFAOYSA-N
XLogP2.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 131963967) is 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(N2Cc3cncnc3C2)n1.
What is the InChIKey of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XCMDASUGTBIJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4S/c11-10(12,13)8-4-18-9(16-8)17-2-6-1-14-5-15-7(6)3-17/h1,4-5H,2-3H2.
What are the key properties of 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 272.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 131963967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).