N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

C13H12N4S — CID 55044626

IUPACN-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccncc2)nc2sccc12
InChIInChI=1S/C13H12N4S/c1-2-15-12-10-5-8-18-13(10)17-11(16-12)9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyTZVRHOUNGMFPQS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.19
Rot. Bonds3

About N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 55044626) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID55044626
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccncc2)nc2sccc12
InChIInChI=1S/C13H12N4S/c1-2-15-12-10-5-8-18-13(10)17-11(16-12)9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyTZVRHOUNGMFPQS-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 62188842
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107935507
2-(4-methyl-3-pyridinyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 114878694
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188533
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63381541

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 55044626) is N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccncc2)nc2sccc12.
What is the InChIKey of N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TZVRHOUNGMFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-15-12-10-5-8-18-13(10)17-11(16-12)9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55044626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).