N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C19H13ClFN3OS — CID 118734213

IUPACN-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
InChIInChI=1S/C19H13ClFN3OS/c1-25-16-5-3-2-4-12(16)17-9-13-18(22-10-23-19(13)26-17)24-11-6-7-15(21)14(20)8-11/h2-10H,1H3,(H,22,23,24)
InChIKeyDDDGSLANZIDSLT-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.90
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734213) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734213
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
InChIInChI=1S/C19H13ClFN3OS/c1-25-16-5-3-2-4-12(16)17-9-13-18(22-10-23-19(13)26-17)24-11-6-7-15(21)14(20)8-11/h2-10H,1H3,(H,22,23,24)
InChIKeyDDDGSLANZIDSLT-UHFFFAOYSA-N
XLogP5.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 118734213) is N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DDDGSLANZIDSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c1-25-16-5-3-2-4-12(16)17-9-13-18(22-10-23-19(13)26-17)24-11-6-7-15(21)14(20)8-11/h2-10H,1H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 385.85 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).