N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine

C23H19F3N4O2 — CID 24961477

IUPACN-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2c(F)cc(OC)cc2F)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H19F3N4O2/c1-3-32-22-21-20(9-8-19(28-21)13-4-6-14(24)7-5-13)29-23(30-22)27-12-16-17(25)10-15(31-2)11-18(16)26/h4-11H,3,12H2,1-2H3,(H,27,29,30)
InChIKeyQHIGTKJNFJJATK-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.13
Rot. Bonds7

About N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine

N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24961477) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24961477
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2c(F)cc(OC)cc2F)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H19F3N4O2/c1-3-32-22-21-20(9-8-19(28-21)13-4-6-14(24)7-5-13)29-23(30-22)27-12-16-17(25)10-15(31-2)11-18(16)26/h4-11H,3,12H2,1-2H3,(H,27,29,30)
InChIKeyQHIGTKJNFJJATK-UHFFFAOYSA-N
XLogP5.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (CID 24961477) is N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCc2c(F)cc(OC)cc2F)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is QHIGTKJNFJJATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-3-32-22-21-20(9-8-19(28-21)13-4-6-14(24)7-5-13)29-23(30-22)27-12-16-17(25)10-15(31-2)11-18(16)26/h4-11H,3,12H2,1-2H3,(H,27,29,30).
What are the key properties of N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 440.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24961477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).