7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine

C26H22N4O2 — CID 20806007

IUPAC7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3nccn3c(Nc3ccccc3)n2)cc1OCc1ccccc1
InChIInChI=1S/C26H22N4O2/c1-31-23-13-12-20(16-24(23)32-18-19-8-4-2-5-9-19)22-17-25-27-14-15-30(25)26(29-22)28-21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,28,29)
InChIKeyYERYIWYPSDEZIX-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.73
Rot. Bonds7

About 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine

7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 20806007) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID20806007
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3nccn3c(Nc3ccccc3)n2)cc1OCc1ccccc1
InChIInChI=1S/C26H22N4O2/c1-31-23-13-12-20(16-24(23)32-18-19-8-4-2-5-9-19)22-17-25-27-14-15-30(25)26(29-22)28-21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,28,29)
InChIKeyYERYIWYPSDEZIX-UHFFFAOYSA-N
XLogP5.73
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine (CID 20806007) is 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine is COc1ccc(-c2cc3nccn3c(Nc3ccccc3)n2)cc1OCc1ccccc1.
What is the InChIKey of 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is YERYIWYPSDEZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-31-23-13-12-20(16-24(23)32-18-19-8-4-2-5-9-19)22-17-25-27-14-15-30(25)26(29-22)28-21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,28,29).
What are the key properties of 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine?
7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 422.49 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-3-phenylmethoxyphenyl)-N-phenylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 20806007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).