5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H14N4S — CID 804886

IUPAC5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cccnc3)c2c1C
InChIInChI=1S/C14H14N4S/c1-9-10(2)19-14-12(9)13(17-8-18-14)16-7-11-4-3-5-15-6-11/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyMCTNKYYXTQPWJJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.32
Rot. Bonds3

About 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 804886) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID804886
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cccnc3)c2c1C
InChIInChI=1S/C14H14N4S/c1-9-10(2)19-14-12(9)13(17-8-18-14)16-7-11-4-3-5-15-6-11/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyMCTNKYYXTQPWJJ-UHFFFAOYSA-N
XLogP3.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 804886) is 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCc3cccnc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MCTNKYYXTQPWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-10(2)19-14-12(9)13(17-8-18-14)16-7-11-4-3-5-15-6-11/h3-6,8H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 804886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).