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

C25H28N4O5 — CID 3621208

IUPAC5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28N4O5/c1-31-19-6-3-16(13-21(19)32-2)22-18-5-4-17(30)14-20(18)34-25-23(22)24(26)29(15-27-25)8-7-28-9-11-33-12-10-28/h3-6,13-15,22,26,30H,7-12H2,1-2H3/b26-24-
InChIKeyCKIJNYULGRTUOS-LCUIJRPUSA-N
MW464.52 g/mol
LogP2.70
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 3621208) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID3621208
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28N4O5/c1-31-19-6-3-16(13-21(19)32-2)22-18-5-4-17(30)14-20(18)34-25-23(22)24(26)29(15-27-25)8-7-28-9-11-33-12-10-28/h3-6,13-15,22,26,30H,7-12H2,1-2H3/b26-24-
InChIKeyCKIJNYULGRTUOS-LCUIJRPUSA-N
XLogP2.70
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 3621208) is 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is CKIJNYULGRTUOS-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-31-19-6-3-16(13-21(19)32-2)22-18-5-4-17(30)14-20(18)34-25-23(22)24(26)29(15-27-25)8-7-28-9-11-33-12-10-28/h3-6,13-15,22,26,30H,7-12H2,1-2H3/b26-24-.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 464.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-imino-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 3621208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).