6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine

C15H17N5S — CID 127494458

IUPAC6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCCc4cn[nH]c43)ncnc2s1
InChIInChI=1S/C15H17N5S/c1-2-10-6-11-14(16-8-17-15(11)21-10)19-12-5-3-4-9-7-18-20-13(9)12/h6-8,12H,2-5H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyNSIFROBHYOEDSP-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.47
Rot. Bonds3

About 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 127494458) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID127494458
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCCc4cn[nH]c43)ncnc2s1
InChIInChI=1S/C15H17N5S/c1-2-10-6-11-14(16-8-17-15(11)21-10)19-12-5-3-4-9-7-18-20-13(9)12/h6-8,12H,2-5H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyNSIFROBHYOEDSP-UHFFFAOYSA-N
XLogP3.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine (CID 127494458) is 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3CCCc4cn[nH]c43)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NSIFROBHYOEDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-10-6-11-14(16-8-17-15(11)21-10)19-12-5-3-4-9-7-18-20-13(9)12/h6-8,12H,2-5H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127494458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).