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

C12H10N4S — CID 2531831

IUPACN-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1cncc(CNc2ncnc3sccc23)c1
InChIInChI=1S/C12H10N4S/c1-2-9(6-13-4-1)7-14-11-10-3-5-17-12(10)16-8-15-11/h1-6,8H,7H2,(H,14,15,16)
InChIKeyOQQMNOYZJPTICM-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.70
Rot. Bonds3

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

N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2531831) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2531831
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC NameN-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1cncc(CNc2ncnc3sccc23)c1
InChIInChI=1S/C12H10N4S/c1-2-9(6-13-4-1)7-14-11-10-3-5-17-12(10)16-8-15-11/h1-6,8H,7H2,(H,14,15,16)
InChIKeyOQQMNOYZJPTICM-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2531831) is N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1cncc(CNc2ncnc3sccc23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OQQMNOYZJPTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-2-9(6-13-4-1)7-14-11-10-3-5-17-12(10)16-8-15-11/h1-6,8H,7H2,(H,14,15,16).
What are the key properties of N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2531831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).