6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C13H17N3S — CID 3235618

IUPAC6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCCC3C)ncnc2s1
InChIInChI=1S/C13H17N3S/c1-9-5-3-4-6-16(9)12-11-7-10(2)17-13(11)15-8-14-12/h7-9H,3-6H2,1-2H3
InChIKeyHCAJEWQALRVENJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.38
Rot. Bonds1

About 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 3235618) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID3235618
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCCC3C)ncnc2s1
InChIInChI=1S/C13H17N3S/c1-9-5-3-4-6-16(9)12-11-7-10(2)17-13(11)15-8-14-12/h7-9H,3-6H2,1-2H3
InChIKeyHCAJEWQALRVENJ-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-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63617392
3-methyl-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133409128
3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 107070440
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407661
N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 133382268
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126403
N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 167953503

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 3235618) is 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCCC3C)ncnc2s1.
What is the InChIKey of 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is HCAJEWQALRVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-5-3-4-6-16(9)12-11-7-10(2)17-13(11)15-8-14-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
6-methyl-4-(2-methylpiperidin-1-yl)thieno[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 6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 3235618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).