6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine

C16H14N6S — CID 172582732

IUPAC6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine
SMILESCn1nc2cc(-c3ncc4cc(C5CCC5)sc4n3)cnc2n1
InChIInChI=1S/C16H14N6S/c1-22-20-12-5-10(7-18-15(12)21-22)14-17-8-11-6-13(9-3-2-4-9)23-16(11)19-14/h5-9H,2-4H2,1H3
InChIKeyFNXNVUHCEFRJFK-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.30
Rot. Bonds2

About 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine

6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine (PubChem CID 172582732) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine
PubChem CID172582732
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine
SMILESCn1nc2cc(-c3ncc4cc(C5CCC5)sc4n3)cnc2n1
InChIInChI=1S/C16H14N6S/c1-22-20-12-5-10(7-18-15(12)21-22)14-17-8-11-6-13(9-3-2-4-9)23-16(11)19-14/h5-9H,2-4H2,1H3
InChIKeyFNXNVUHCEFRJFK-UHFFFAOYSA-N
XLogP3.30
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane
CID 172582587
methanol;2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-6-[3-(trifluoromethyl)cyclobutyl]thieno[2,3-d]pyrimidine
CID 172582355
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
3,3-dimethyl-1-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]cyclobutan-1-ol
CID 172542176
2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane
CID 172582581
1-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542157
2-(2-methoxycyclobutyl)-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine
CID 172582490
[4-cyclopropyl-2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 172583403
6-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 142150583
5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
CID 53041039
3-cyclopentyl-5-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 167811218
(S)-cyclobutyl-[6-cyclopropyl-4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542366

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine (CID 172582732) is 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine is Cn1nc2cc(-c3ncc4cc(C5CCC5)sc4n3)cnc2n1.
What is the InChIKey of 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine?
The InChIKey is FNXNVUHCEFRJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-22-20-12-5-10(7-18-15(12)21-22)14-17-8-11-6-13(9-3-2-4-9)23-16(11)19-14/h5-9H,2-4H2,1H3.
What are the key properties of 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine?
6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine has a molecular weight of 322.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 172582732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).