6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H18N4OS — CID 103327762

IUPAC6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCCOC3)nc(N)nc2s1
InChIInChI=1S/C13H18N4OS/c1-2-9-6-10-11(15-8-4-3-5-18-7-8)16-13(14)17-12(10)19-9/h6,8H,2-5,7H2,1H3,(H3,14,15,16,17)
InChIKeyIFICJIXBYZSVID-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.43
Rot. Bonds3

About 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327762) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327762
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCCOC3)nc(N)nc2s1
InChIInChI=1S/C13H18N4OS/c1-2-9-6-10-11(15-8-4-3-5-18-7-8)16-13(14)17-12(10)19-9/h6,8H,2-5,7H2,1H3,(H3,14,15,16,17)
InChIKeyIFICJIXBYZSVID-UHFFFAOYSA-N
XLogP2.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-(3-ethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328382
6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330885
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 103328658
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 103329216
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 103327283
6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334914
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329523

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327762) is 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NC3CCCOC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IFICJIXBYZSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-9-6-10-11(15-8-4-3-5-18-7-8)16-13(14)17-12(10)19-9/h6,8H,2-5,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).