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

C17H14F4N4O — CID 24960747

IUPAC4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCC(F)(F)F)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14F4N4O/c1-2-26-15-14-13(24-16(25-15)22-9-17(19,20)21)8-7-12(23-14)10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H,22,24,25)
InChIKeyGSYRFUFSFFNVPW-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.20
Rot. Bonds5

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

4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24960747) has the molecular formula C17H14F4N4O and a molecular weight of 366.32 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24960747
Molecular FormulaC17H14F4N4O
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Name4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCC(F)(F)F)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14F4N4O/c1-2-26-15-14-13(24-16(25-15)22-9-17(19,20)21)8-7-12(23-14)10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H,22,24,25)
InChIKeyGSYRFUFSFFNVPW-UHFFFAOYSA-N
XLogP4.20
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.20
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-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine (CID 24960747) is 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCC(F)(F)F)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is GSYRFUFSFFNVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O/c1-2-26-15-14-13(24-16(25-15)22-9-17(19,20)21)8-7-12(23-14)10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H,22,24,25).
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine?
4-ethoxy-6-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 366.32 g/mol, XLogP of 4.20, 5 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-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24960747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).