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

C23H24N4O3 — CID 5160683

IUPAC4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C23H24N4O3/c24-22-21-20(16-4-2-1-3-5-16)18-7-6-17(28)14-19(18)30-23(21)25-15-27(22)9-8-26-10-12-29-13-11-26/h1-7,14-15,20,24,28H,8-13H2/b24-22-
InChIKeyKMJFBDNOKIBSSG-GYHWCHFESA-N
MW404.47 g/mol
LogP2.69
Rot. Bonds4

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

4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 5160683) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID5160683
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C23H24N4O3/c24-22-21-20(16-4-2-1-3-5-16)18-7-6-17(28)14-19(18)30-23(21)25-15-27(22)9-8-26-10-12-29-13-11-26/h1-7,14-15,20,24,28H,8-13H2/b24-22-
InChIKeyKMJFBDNOKIBSSG-GYHWCHFESA-N
XLogP2.69
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 5160683) is 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccccc1.
What is the InChIKey of 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is KMJFBDNOKIBSSG-GYHWCHFESA-N. The full InChI is InChI=1S/C23H24N4O3/c24-22-21-20(16-4-2-1-3-5-16)18-7-6-17(28)14-19(18)30-23(21)25-15-27(22)9-8-26-10-12-29-13-11-26/h1-7,14-15,20,24,28H,8-13H2/b24-22-.
What are the key properties of 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 404.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3-(2-morpholin-4-ylethyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 5160683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).