2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine

C10H8ClF3N2OS — CID 103320167

IUPAC2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(OC(C)C(F)(F)F)nc(Cl)nc2s1
InChIInChI=1S/C10H8ClF3N2OS/c1-4-3-6-7(17-5(2)10(12,13)14)15-9(11)16-8(6)18-4/h3,5H,1-2H3
InChIKeyUMWFGUZYMXLUKA-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.98
Rot. Bonds2

About 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine

2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine (PubChem CID 103320167) has the molecular formula C10H8ClF3N2OS and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
PubChem CID103320167
Molecular FormulaC10H8ClF3N2OS
Molecular Weight296.70 g/mol
Exact Mass296.00
IUPAC Name2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(OC(C)C(F)(F)F)nc(Cl)nc2s1
InChIInChI=1S/C10H8ClF3N2OS/c1-4-3-6-7(17-5(2)10(12,13)14)15-9(11)16-8(6)18-4/h3,5H,1-2H3
InChIKeyUMWFGUZYMXLUKA-UHFFFAOYSA-N
XLogP3.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine (CID 103320167) is 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine is Cc1cc2c(OC(C)C(F)(F)F)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine?
The InChIKey is UMWFGUZYMXLUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2OS/c1-4-3-6-7(17-5(2)10(12,13)14)15-9(11)16-8(6)18-4/h3,5H,1-2H3.
What are the key properties of 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine has a molecular weight of 296.70 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).