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

C22H16F4N4O — CID 24961478

IUPAC4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2c(F)cc(F)cc2F)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H16F4N4O/c1-2-31-21-20-19(8-7-18(28-20)12-3-5-13(23)6-4-12)29-22(30-21)27-11-15-16(25)9-14(24)10-17(15)26/h3-10H,2,11H2,1H3,(H,27,29,30)
InChIKeyDXXQNEKBLSBQEL-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.26
Rot. Bonds6

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

4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24961478) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24961478
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2c(F)cc(F)cc2F)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H16F4N4O/c1-2-31-21-20-19(8-7-18(28-20)12-3-5-13(23)6-4-12)29-22(30-21)27-11-15-16(25)9-14(24)10-17(15)26/h3-10H,2,11H2,1H3,(H,27,29,30)
InChIKeyDXXQNEKBLSBQEL-UHFFFAOYSA-N
XLogP5.26
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 24961478) is 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCc2c(F)cc(F)cc2F)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is DXXQNEKBLSBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-2-31-21-20-19(8-7-18(28-20)12-3-5-13(23)6-4-12)29-22(30-21)27-11-15-16(25)9-14(24)10-17(15)26/h3-10H,2,11H2,1H3,(H,27,29,30).
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 428.39 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-fluorophenyl)-N-[(2,4,6-trifluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24961478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).