5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine

C26H30N4O5 — CID 44634554

IUPAC5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(OC)ccc1C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N4O5/c1-31-18-5-6-19-21(15-18)35-26-24(23(19)17-4-7-20(32-2)22(14-17)33-3)25(27)30(16-28-26)9-8-29-10-12-34-13-11-29/h4-7,14-16,23,27H,8-13H2,1-3H3/b27-25-
InChIKeyVTYJPEJVKQZVIL-RFBIWTDZSA-N
MW478.55 g/mol
LogP3.01
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine

5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine (PubChem CID 44634554) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine
PubChem CID44634554
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(OC)ccc1C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N4O5/c1-31-18-5-6-19-21(15-18)35-26-24(23(19)17-4-7-20(32-2)22(14-17)33-3)25(27)30(16-28-26)9-8-29-10-12-34-13-11-29/h4-7,14-16,23,27H,8-13H2,1-3H3/b27-25-
InChIKeyVTYJPEJVKQZVIL-RFBIWTDZSA-N
XLogP3.01
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine (CID 44634554) is 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(OC)ccc1C2c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine?
The InChIKey is VTYJPEJVKQZVIL-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-31-18-5-6-19-21(15-18)35-26-24(23(19)17-4-7-20(32-2)22(14-17)33-3)25(27)30(16-28-26)9-8-29-10-12-34-13-11-29/h4-7,14-16,23,27H,8-13H2,1-3H3/b27-25-.
What are the key properties of 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine?
5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine has a molecular weight of 478.55 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 44634554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).