2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine

C16H17N3S — CID 10660654

IUPAC2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(Nc2ccccc2)c2sccc2n1
InChIInChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
InChIKeyUQWQNHQJMREMFN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.78
Rot. Bonds5

About 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine

2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 10660654) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID10660654
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(Nc2ccccc2)c2sccc2n1
InChIInChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
InChIKeyUQWQNHQJMREMFN-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine (CID 10660654) is 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(Nc2ccccc2)c2sccc2n1.
What is the InChIKey of 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UQWQNHQJMREMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19).
What are the key properties of 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine?
2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10660654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).