7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C13H14N4S — CID 161462780

IUPAC7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(Cc2ccsc2)c2c(N)ncnc21
InChIInChI=1S/C13H14N4S/c1-2-17-6-10(5-9-3-4-18-7-9)11-12(14)15-8-16-13(11)17/h3-4,6-8H,2,5H2,1H3,(H2,14,15,16)
InChIKeyNNYDVQILSAYAEW-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.69
Rot. Bonds3

About 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 161462780) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID161462780
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(Cc2ccsc2)c2c(N)ncnc21
InChIInChI=1S/C13H14N4S/c1-2-17-6-10(5-9-3-4-18-7-9)11-12(14)15-8-16-13(11)17/h3-4,6-8H,2,5H2,1H3,(H2,14,15,16)
InChIKeyNNYDVQILSAYAEW-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 161462779
CID 161462779
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
4-amino-8-ethylpyrido[2,3-d]pyrimidin-5-one
CID 163553264
7-ethyl-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 123767193
5-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80781371
5-(3a,7a-dihydro-1-benzofuran-3-ylsulfanyl)-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 158180234
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
9-thiophen-3-ylpurin-6-amine
CID 125496047
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
4-amino-7-[(2-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 3006452

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 161462780) is 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CCn1cc(Cc2ccsc2)c2c(N)ncnc21.
What is the InChIKey of 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NNYDVQILSAYAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-17-6-10(5-9-3-4-18-7-9)11-12(14)15-8-16-13(11)17/h3-4,6-8H,2,5H2,1H3,(H2,14,15,16).
What are the key properties of 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 258.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161462780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).