3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol

C24H19N3O2 — CID 3756793

IUPAC3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C24H19N3O2/c25-23-22-21(17-9-5-2-6-10-17)19-12-11-18(28)13-20(19)29-24(22)26-15-27(23)14-16-7-3-1-4-8-16/h1-13,15,21,25,28H,14H2/b25-23-
InChIKeyAIUUACVUBLKQRP-BZZOAKBMSA-N
MW381.44 g/mol
LogP4.40
Rot. Bonds3

About 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol

3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 3756793) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID3756793
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C24H19N3O2/c25-23-22-21(17-9-5-2-6-10-17)19-12-11-18(28)13-20(19)29-24(22)26-15-27(23)14-16-7-3-1-4-8-16/h1-13,15,21,25,28H,14H2/b25-23-
InChIKeyAIUUACVUBLKQRP-BZZOAKBMSA-N
XLogP4.40
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 3756793) is 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1C2c1ccccc1.
What is the InChIKey of 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is AIUUACVUBLKQRP-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-23-22-21(17-9-5-2-6-10-17)19-12-11-18(28)13-20(19)29-24(22)26-15-27(23)14-16-7-3-1-4-8-16/h1-13,15,21,25,28H,14H2/b25-23-.
What are the key properties of 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 381.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 3756793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).