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

C20H15Cl2N3O — CID 5469514

IUPAC(8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(-c3cccc(Cl)c3)n1)COC/C2=C\c1cccc(Cl)c1
InChIInChI=1S/C20H15Cl2N3O/c21-15-5-1-3-12(8-15)7-14-10-26-11-17-18(24-20(23)25-19(14)17)13-4-2-6-16(22)9-13/h1-9H,10-11H2,(H2,23,24,25)/b14-7+
InChIKeyCJHQPXUERTZCAI-VGOFMYFVSA-N
MW384.27 g/mol
LogP5.10
Rot. Bonds2

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

(8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine (PubChem CID 5469514) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name(8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
PubChem CID5469514
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name(8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(-c3cccc(Cl)c3)n1)COC/C2=C\c1cccc(Cl)c1
InChIInChI=1S/C20H15Cl2N3O/c21-15-5-1-3-12(8-15)7-14-10-26-11-17-18(24-20(23)25-19(14)17)13-4-2-6-16(22)9-13/h1-9H,10-11H2,(H2,23,24,25)/b14-7+
InChIKeyCJHQPXUERTZCAI-VGOFMYFVSA-N
XLogP5.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine (CID 5469514) is (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine is Nc1nc2c(c(-c3cccc(Cl)c3)n1)COC/C2=C\c1cccc(Cl)c1.
What is the InChIKey of (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is CJHQPXUERTZCAI-VGOFMYFVSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-15-5-1-3-12(8-15)7-14-10-26-11-17-18(24-20(23)25-19(14)17)13-4-2-6-16(22)9-13/h1-9H,10-11H2,(H2,23,24,25)/b14-7+.
What are the key properties of (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine?
(8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 384.27 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 5469514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).