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

C18H12ClFN4S — CID 87519051

IUPAC2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3nc(Cl)nc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C18H12ClFN4S/c19-18-23-16(22-9-13-3-1-2-8-21-13)15-14(10-25-17(15)24-18)11-4-6-12(20)7-5-11/h1-8,10H,9H2,(H,22,23,24)
InChIKeyGAEUOARQRVMUML-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.16
Rot. Bonds4

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

2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 87519051) has the molecular formula C18H12ClFN4S and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID87519051
Molecular FormulaC18H12ClFN4S
Molecular Weight370.84 g/mol
Exact Mass370.05
IUPAC Name2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2csc3nc(Cl)nc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C18H12ClFN4S/c19-18-23-16(22-9-13-3-1-2-8-21-13)15-14(10-25-17(15)24-18)11-4-6-12(20)7-5-11/h1-8,10H,9H2,(H,22,23,24)
InChIKeyGAEUOARQRVMUML-UHFFFAOYSA-N
XLogP5.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 87519051) is 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2csc3nc(Cl)nc(NCc4ccccn4)c23)cc1.
What is the InChIKey of 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GAEUOARQRVMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4S/c19-18-23-16(22-9-13-3-1-2-8-21-13)15-14(10-25-17(15)24-18)11-4-6-12(20)7-5-11/h1-8,10H,9H2,(H,22,23,24).
What are the key properties of 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.84 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 87519051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).