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

C24H20F2N4O2 — CID 24960749

IUPAC6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESFc1ccc(CNc2nc(OC3CCOC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1
InChIInChI=1S/C24H20F2N4O2/c25-17-5-1-15(2-6-17)13-27-24-29-21-10-9-20(16-3-7-18(26)8-4-16)28-22(21)23(30-24)32-19-11-12-31-14-19/h1-10,19H,11-14H2,(H,27,29,30)
InChIKeyXDBPOEDGONMSDZ-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.75
Rot. Bonds6

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

6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24960749) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24960749
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESFc1ccc(CNc2nc(OC3CCOC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1
InChIInChI=1S/C24H20F2N4O2/c25-17-5-1-15(2-6-17)13-27-24-29-21-10-9-20(16-3-7-18(26)8-4-16)28-22(21)23(30-24)32-19-11-12-31-14-19/h1-10,19H,11-14H2,(H,27,29,30)
InChIKeyXDBPOEDGONMSDZ-UHFFFAOYSA-N
XLogP4.75
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine (CID 24960749) is 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine is Fc1ccc(CNc2nc(OC3CCOC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is XDBPOEDGONMSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-17-5-1-15(2-6-17)13-27-24-29-21-10-9-20(16-3-7-18(26)8-4-16)28-22(21)23(30-24)32-19-11-12-31-14-19/h1-10,19H,11-14H2,(H,27,29,30).
What are the key properties of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine?
6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 434.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24960749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).