2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C14H16N4S — CID 133403949

IUPAC2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCn2cccc2)c2ccsc2n1
InChIInChI=1S/C14H16N4S/c1-2-12-16-13(11-5-10-19-14(11)17-12)15-6-9-18-7-3-4-8-18/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16,17)
InChIKeyMYZLMJVJZVXYNW-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.17
Rot. Bonds5

About 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133403949) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133403949
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCn2cccc2)c2ccsc2n1
InChIInChI=1S/C14H16N4S/c1-2-12-16-13(11-5-10-19-14(11)17-12)15-6-9-18-7-3-4-8-18/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16,17)
InChIKeyMYZLMJVJZVXYNW-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404145
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325853
2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 126836105
N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133423697
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404764

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133403949) is 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCn2cccc2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MYZLMJVJZVXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-12-16-13(11-5-10-19-14(11)17-12)15-6-9-18-7-3-4-8-18/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16,17).
What are the key properties of 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 272.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).