5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine

C12H12F3N5S — CID 24912249

IUPAC5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3nc(C(F)(F)F)ncc3C2)s1
InChIInChI=1S/C12H12F3N5S/c13-12(14,15)10-17-3-7-5-20(2-1-9(7)19-10)6-8-4-18-11(16)21-8/h3-4H,1-2,5-6H2,(H2,16,18)
InChIKeyQIKHFPWHQPJZCZ-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.09
Rot. Bonds2

About 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 24912249) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine
PubChem CID24912249
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3nc(C(F)(F)F)ncc3C2)s1
InChIInChI=1S/C12H12F3N5S/c13-12(14,15)10-17-3-7-5-20(2-1-9(7)19-10)6-8-4-18-11(16)21-8/h3-4H,1-2,5-6H2,(H2,16,18)
InChIKeyQIKHFPWHQPJZCZ-UHFFFAOYSA-N
XLogP2.09
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine (CID 24912249) is 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCc3nc(C(F)(F)F)ncc3C2)s1.
What is the InChIKey of 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is QIKHFPWHQPJZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5S/c13-12(14,15)10-17-3-7-5-20(2-1-9(7)19-10)6-8-4-18-11(16)21-8/h3-4H,1-2,5-6H2,(H2,16,18).
What are the key properties of 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 315.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24912249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).