5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C14H19N3S — CID 2973940

IUPAC5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCCC(C)C3)c2c1C
InChIInChI=1S/C14H19N3S/c1-9-5-4-6-17(7-9)13-12-10(2)11(3)18-14(12)16-8-15-13/h8-9H,4-7H2,1-3H3
InChIKeyDKLFDWKNQKSJAS-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.54
Rot. Bonds1

About 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 2973940) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID2973940
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCCC(C)C3)c2c1C
InChIInChI=1S/C14H19N3S/c1-9-5-4-6-17(7-9)13-12-10(2)11(3)18-14(12)16-8-15-13/h8-9H,4-7H2,1-3H3
InChIKeyDKLFDWKNQKSJAS-UHFFFAOYSA-N
XLogP3.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
N-(4-bromophenyl)-6-methyl-4-[(3S)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 95050552
6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 92901168
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
6-methyl-4-[(3R)-3-methylpiperidin-1-yl]-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 95058386
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650654

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 2973940) is 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCCC(C)C3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is DKLFDWKNQKSJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-5-4-6-17(7-9)13-12-10(2)11(3)18-14(12)16-8-15-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 261.39 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2973940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).