N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine

C16H11N3S — CID 2495547

IUPACN-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc2cc(Nc3ncnc4sccc34)ccc2c1
InChIInChI=1S/C16H11N3S/c1-2-4-12-9-13(6-5-11(12)3-1)19-15-14-7-8-20-16(14)18-10-17-15/h1-10H,(H,17,18,19)
InChIKeyRIWNVHKHTFAVHK-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.59
Rot. Bonds2

About N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2495547) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2495547
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC NameN-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc2cc(Nc3ncnc4sccc34)ccc2c1
InChIInChI=1S/C16H11N3S/c1-2-4-12-9-13(6-5-11(12)3-1)19-15-14-7-8-20-16(14)18-10-17-15/h1-10H,(H,17,18,19)
InChIKeyRIWNVHKHTFAVHK-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 2495547) is N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc2cc(Nc3ncnc4sccc34)ccc2c1.
What is the InChIKey of N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RIWNVHKHTFAVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-4-12-9-13(6-5-11(12)3-1)19-15-14-7-8-20-16(14)18-10-17-15/h1-10H,(H,17,18,19).
What are the key properties of N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.35 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2495547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).