5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C18H12F2N4S — CID 68621492

IUPAC5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1F
InChIInChI=1S/C18H12F2N4S/c19-14-5-4-11(7-15(14)20)13-9-25-18-16(13)17(23-10-24-18)22-8-12-3-1-2-6-21-12/h1-7,9-10H,8H2,(H,22,23,24)
InChIKeyPXYKSJLCUSSJAR-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.64
Rot. Bonds4

About 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 68621492) has the molecular formula C18H12F2N4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID68621492
Molecular FormulaC18H12F2N4S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1F
InChIInChI=1S/C18H12F2N4S/c19-14-5-4-11(7-15(14)20)13-9-25-18-16(13)17(23-10-24-18)22-8-12-3-1-2-6-21-12/h1-7,9-10H,8H2,(H,22,23,24)
InChIKeyPXYKSJLCUSSJAR-UHFFFAOYSA-N
XLogP4.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 68621492) is 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PXYKSJLCUSSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4S/c19-14-5-4-11(7-15(14)20)13-9-25-18-16(13)17(23-10-24-18)22-8-12-3-1-2-6-21-12/h1-7,9-10H,8H2,(H,22,23,24).
What are the key properties of 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68621492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).