4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine

C13H17N3S — CID 2238996

IUPAC4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCCC2)c2ccsc2n1
InChIInChI=1S/C13H17N3S/c1-10-14-12(11-6-9-17-13(11)15-10)16-7-4-2-3-5-8-16/h6,9H,2-5,7-8H2,1H3
InChIKeyBXPITMKEQBCITI-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.38
Rot. Bonds1

About 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine

4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine (PubChem CID 2238996) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
PubChem CID2238996
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCCC2)c2ccsc2n1
InChIInChI=1S/C13H17N3S/c1-10-14-12(11-6-9-17-13(11)15-10)16-7-4-2-3-5-8-16/h6,9H,2-5,7-8H2,1H3
InChIKeyBXPITMKEQBCITI-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 72928054
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
2-methyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 135104009
2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95199685
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135103015
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
CID 161026737
CID 161026737
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976571
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine (CID 2238996) is 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine is Cc1nc(N2CCCCCC2)c2ccsc2n1.
What is the InChIKey of 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is BXPITMKEQBCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-14-12(11-6-9-17-13(11)15-10)16-7-4-2-3-5-8-16/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine?
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2238996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).