2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine

C13H13ClN4OS — CID 103320160

IUPAC2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3c(C)nn(C)c3C)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4OS/c1-6-5-9-11(15-13(14)16-12(9)20-6)19-10-7(2)17-18(4)8(10)3/h5H,1-4H3
InChIKeyMFQGYHJZWFHFDW-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.80
Rot. Bonds2

About 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine

2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine (PubChem CID 103320160) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
PubChem CID103320160
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3c(C)nn(C)c3C)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4OS/c1-6-5-9-11(15-13(14)16-12(9)20-6)19-10-7(2)17-18(4)8(10)3/h5H,1-4H3
InChIKeyMFQGYHJZWFHFDW-UHFFFAOYSA-N
XLogP3.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-5-amine
CID 114044150
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
2-chloro-4-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320244
2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320167
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
CID 103320276
5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877691
5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 114049955
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine (CID 103320160) is 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine is Cc1cc2c(Oc3c(C)nn(C)c3C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine?
The InChIKey is MFQGYHJZWFHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-6-5-9-11(15-13(14)16-12(9)20-6)19-10-7(2)17-18(4)8(10)3/h5H,1-4H3.
What are the key properties of 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine has a molecular weight of 308.79 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).