(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine

C20H15F2N3O — CID 5469513

IUPAC(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(-c3ccc(F)cc3)n1)COC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C20H15F2N3O/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(24-20(23)25-19(14)17)13-3-7-16(22)8-4-13/h1-9H,10-11H2,(H2,23,24,25)/b14-9+
InChIKeySWXABLOEPGQKLV-NTEUORMPSA-N
MW351.36 g/mol
LogP4.07
Rot. Bonds2

About (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine

(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine (PubChem CID 5469513) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
PubChem CID5469513
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(-c3ccc(F)cc3)n1)COC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C20H15F2N3O/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(24-20(23)25-19(14)17)13-3-7-16(22)8-4-13/h1-9H,10-11H2,(H2,23,24,25)/b14-9+
InChIKeySWXABLOEPGQKLV-NTEUORMPSA-N
XLogP4.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine (CID 5469513) is (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine is Nc1nc2c(c(-c3ccc(F)cc3)n1)COC/C2=C\c1ccc(F)cc1.
What is the InChIKey of (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is SWXABLOEPGQKLV-NTEUORMPSA-N. The full InChI is InChI=1S/C20H15F2N3O/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(24-20(23)25-19(14)17)13-3-7-16(22)8-4-13/h1-9H,10-11H2,(H2,23,24,25)/b14-9+.
What are the key properties of (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
(8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 351.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 5469513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).