1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C13H18N4S — CID 65189090

IUPAC1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCc1cc2c(NC(CN)C3CC3)ncnc2s1
InChIInChI=1S/C13H18N4S/c1-2-9-5-10-12(15-7-16-13(10)18-9)17-11(6-14)8-3-4-8/h5,7-8,11H,2-4,6,14H2,1H3,(H,15,16,17)
InChIKeyJLEKZUCVWZUFMF-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.40
Rot. Bonds5

About 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 65189090) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID65189090
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCc1cc2c(NC(CN)C3CC3)ncnc2s1
InChIInChI=1S/C13H18N4S/c1-2-9-5-10-12(15-7-16-13(10)18-9)17-11(6-14)8-3-4-8/h5,7-8,11H,2-4,6,14H2,1H3,(H,15,16,17)
InChIKeyJLEKZUCVWZUFMF-UHFFFAOYSA-N
XLogP2.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 65189090) is 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CCc1cc2c(NC(CN)C3CC3)ncnc2s1.
What is the InChIKey of 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is JLEKZUCVWZUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-9-5-10-12(15-7-16-13(10)18-9)17-11(6-14)8-3-4-8/h5,7-8,11H,2-4,6,14H2,1H3,(H,15,16,17).
What are the key properties of 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65189090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).