2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol

C19H16N2O4 — CID 136861327

IUPAC2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
SMILESCOc1cccc2c1Oc1nc(-c3ccccc3O)nc(OC)c1C2
InChIInChI=1S/C19H16N2O4/c1-23-15-9-5-6-11-10-13-18(24-2)20-17(21-19(13)25-16(11)15)12-7-3-4-8-14(12)22/h3-9,22H,10H2,1-2H3
InChIKeyOEVMVYPPJNOTLF-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.56
Rot. Bonds3

About 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol

2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol (PubChem CID 136861327) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
PubChem CID136861327
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
SMILESCOc1cccc2c1Oc1nc(-c3ccccc3O)nc(OC)c1C2
InChIInChI=1S/C19H16N2O4/c1-23-15-9-5-6-11-10-13-18(24-2)20-17(21-19(13)25-16(11)15)12-7-3-4-8-14(12)22/h3-9,22H,10H2,1-2H3
InChIKeyOEVMVYPPJNOTLF-UHFFFAOYSA-N
XLogP3.56
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 22516096
2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol
CID 136701668
4-benzylsulfanyl-9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine
CID 20874732
2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 22515993
2-(4-methoxyquinazolin-2-yl)phenol
CID 4601327
1-chloro-5-methoxy-9H-xanthene
CID 14570239
1,4-dihydroxy-2,10-dimethoxy-6H-benzo[b][1]benzoxepin-5-one
CID 15512489
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
(1,6-dimethoxy-5,10-dihydrobenzo[g]isoquinolin-3-yl)-trimethylsilane
CID 138454515
2-(3-hydroxyphenyl)-9-methoxy-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione
CID 2137020
3-(2-methoxyphenyl)-9H-xanthen-1-ol
CID 151188423
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569

Frequently Asked Questions

What is the IUPAC name of 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol?
The IUPAC name of 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol (CID 136861327) is 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol is COc1cccc2c1Oc1nc(-c3ccccc3O)nc(OC)c1C2.
What is the InChIKey of 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol?
The InChIKey is OEVMVYPPJNOTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-15-9-5-6-11-10-13-18(24-2)20-17(21-19(13)25-16(11)15)12-7-3-4-8-14(12)22/h3-9,22H,10H2,1-2H3.
What are the key properties of 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol?
2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol has a molecular weight of 336.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 136861327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).