4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C13H14N4S2 — CID 106015430

IUPAC4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1ccc(CNc2nc(N)nc3sccc23)s1
InChIInChI=1S/C13H14N4S2/c1-2-8-3-4-9(19-8)7-15-11-10-5-6-18-12(10)17-13(14)16-11/h3-6H,2,7H2,1H3,(H3,14,15,16,17)
InChIKeyOCWGNJYTESXNCD-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.51
Rot. Bonds4

About 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106015430) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106015430
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1ccc(CNc2nc(N)nc3sccc23)s1
InChIInChI=1S/C13H14N4S2/c1-2-8-3-4-9(19-8)7-15-11-10-5-6-18-12(10)17-13(14)16-11/h3-6H,2,7H2,1H3,(H3,14,15,16,17)
InChIKeyOCWGNJYTESXNCD-UHFFFAOYSA-N
XLogP3.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328827
6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327265
4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328163

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 106015430) is 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCc1ccc(CNc2nc(N)nc3sccc23)s1.
What is the InChIKey of 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OCWGNJYTESXNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-2-8-3-4-9(19-8)7-15-11-10-5-6-18-12(10)17-13(14)16-11/h3-6H,2,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106015430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).