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

C12H10N4S — CID 55086666

IUPAC2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccncc2)nc2sccc12
InChIInChI=1S/C12H10N4S/c13-11-9-3-6-17-12(9)16-10(15-11)7-8-1-4-14-5-2-8/h1-6H,7H2,(H2,13,15,16)
InChIKeyMWKYVXLYLBEBAT-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.26
Rot. Bonds2

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

2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55086666) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID55086666
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccncc2)nc2sccc12
InChIInChI=1S/C12H10N4S/c13-11-9-3-6-17-12(9)16-10(15-11)7-8-1-4-14-5-2-8/h1-6H,7H2,(H2,13,15,16)
InChIKeyMWKYVXLYLBEBAT-UHFFFAOYSA-N
XLogP2.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55130279
5,6-dimethyl-2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025252
2-[(4-phenyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 141105810
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55046528
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanenitrile
CID 55046681
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 115561742
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 55086666) is 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(Cc2ccncc2)nc2sccc12.
What is the InChIKey of 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MWKYVXLYLBEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-11-9-3-6-17-12(9)16-10(15-11)7-8-1-4-14-5-2-8/h1-6H,7H2,(H2,13,15,16).
What are the key properties of 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55086666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).