7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine

C16H15N3OS — CID 137429287

IUPAC7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine
SMILESCOc1nc(-c2ccccn2)nc2c(C3CCC3)csc12
InChIInChI=1S/C16H15N3OS/c1-20-16-14-13(11(9-21-14)10-5-4-6-10)18-15(19-16)12-7-2-3-8-17-12/h2-3,7-10H,4-6H2,1H3
InChIKeyVSIPXAACBVGREX-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.03
Rot. Bonds3

About 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine

7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine (PubChem CID 137429287) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine
PubChem CID137429287
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine
SMILESCOc1nc(-c2ccccn2)nc2c(C3CCC3)csc12
InChIInChI=1S/C16H15N3OS/c1-20-16-14-13(11(9-21-14)10-5-4-6-10)18-15(19-16)12-7-2-3-8-17-12/h2-3,7-10H,4-6H2,1H3
InChIKeyVSIPXAACBVGREX-UHFFFAOYSA-N
XLogP4.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-piperidin-1-ium-4-yl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 147185081
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
2-(2-cyclooctyl-4-methoxyphenyl)pyridine
CID 102473912
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
CID 139150015
CID 139150015
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
4-cyclohexyl-6-pyridin-2-yl-1,3,5-triazin-2-amine
CID 63867915
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848
2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine
CID 96923185
[(2-cyclobutylphenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105341367
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine (CID 137429287) is 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine is COc1nc(-c2ccccn2)nc2c(C3CCC3)csc12.
What is the InChIKey of 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine?
The InChIKey is VSIPXAACBVGREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-16-14-13(11(9-21-14)10-5-4-6-10)18-15(19-16)12-7-2-3-8-17-12/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine?
7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine has a molecular weight of 297.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-4-methoxy-2-pyridin-2-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 137429287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).