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

C21H21N3O2 — CID 3529559

IUPAC4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CC(C)C)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-13(2)11-24-12-23-21-19(20(24)22)18(14-6-4-3-5-7-14)16-9-8-15(25)10-17(16)26-21/h3-10,12-13,18,22,25H,11H2,1-2H3/b22-20-
InChIKeyNWNJPYRRUXKSLG-XDOYNYLZSA-N
MW347.42 g/mol
LogP4.01
Rot. Bonds3

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

4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 3529559) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID3529559
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CC(C)C)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-13(2)11-24-12-23-21-19(20(24)22)18(14-6-4-3-5-7-14)16-9-8-15(25)10-17(16)26-21/h3-10,12-13,18,22,25H,11H2,1-2H3/b22-20-
InChIKeyNWNJPYRRUXKSLG-XDOYNYLZSA-N
XLogP4.01
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-imino-3-(2-methylpropyl)-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-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 3529559) is 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CC(C)C)Oc1cc(O)ccc1C2c1ccccc1.
What is the InChIKey of 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is NWNJPYRRUXKSLG-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)11-24-12-23-21-19(20(24)22)18(14-6-4-3-5-7-14)16-9-8-15(25)10-17(16)26-21/h3-10,12-13,18,22,25H,11H2,1-2H3/b22-20-.
What are the key properties of 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 347.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3-(2-methylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 3529559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).