N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

C14H10N4S — CID 18382956

IUPACN-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1
InChIInChI=1S/C14H10N4S/c1-2-11-9(3-5-15-11)7-10(1)18-14-13-12(4-6-19-13)16-8-17-14/h1-8,15H,(H,16,17,18)
InChIKeyNBQRNBQWWDPYMC-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.92
Rot. Bonds2

About N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382956) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382956
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC NameN-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1
InChIInChI=1S/C14H10N4S/c1-2-11-9(3-5-15-11)7-10(1)18-14-13-12(4-6-19-13)16-8-17-14/h1-8,15H,(H,16,17,18)
InChIKeyNBQRNBQWWDPYMC-UHFFFAOYSA-N
XLogP3.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (CID 18382956) is N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is c1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1.
What is the InChIKey of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NBQRNBQWWDPYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-11-9(3-5-15-11)7-10(1)18-14-13-12(4-6-19-13)16-8-17-14/h1-8,15H,(H,16,17,18).
What are the key properties of N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 266.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).