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

C14H14N4S — CID 46991915

IUPAC2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCc2ccncc2)c2ccsc2n1
InChIInChI=1S/C14H14N4S/c1-10-17-13(12-5-9-19-14(12)18-10)16-8-4-11-2-6-15-7-3-11/h2-3,5-7,9H,4,8H2,1H3,(H,16,17,18)
InChIKeyGXIIQUCKJPNVND-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.05
Rot. Bonds4

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

2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46991915) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID46991915
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCc2ccncc2)c2ccsc2n1
InChIInChI=1S/C14H14N4S/c1-10-17-13(12-5-9-19-14(12)18-10)16-8-4-11-2-6-15-7-3-11/h2-3,5-7,9H,4,8H2,1H3,(H,16,17,18)
InChIKeyGXIIQUCKJPNVND-UHFFFAOYSA-N
XLogP3.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
CID 46986489
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72918328
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
2-(4-methyl-3-pyridinyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 114878694
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72938446
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044626
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
N-(1,3-benzodioxol-5-ylmethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 140996797
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 46991915) is 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCCc2ccncc2)c2ccsc2n1.
What is the InChIKey of 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GXIIQUCKJPNVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-17-13(12-5-9-19-14(12)18-10)16-8-4-11-2-6-15-7-3-11/h2-3,5-7,9H,4,8H2,1H3,(H,16,17,18).
What are the key properties of 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46991915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).