6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one

C20H15N3O3 — CID 108773151

IUPAC6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
SMILESCOc1ccc2oc(-c3ccc(Nc4ncccn4)cc3)cc(=O)c2c1
InChIInChI=1S/C20H15N3O3/c1-25-15-7-8-18-16(11-15)17(24)12-19(26-18)13-3-5-14(6-4-13)23-20-21-9-2-10-22-20/h2-12H,1H3,(H,21,22,23)
InChIKeyDJTZYQXENYDCGS-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.00
Rot. Bonds4

About 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one

6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one (PubChem CID 108773151) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
PubChem CID108773151
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
SMILESCOc1ccc2oc(-c3ccc(Nc4ncccn4)cc3)cc(=O)c2c1
InChIInChI=1S/C20H15N3O3/c1-25-15-7-8-18-16(11-15)17(24)12-19(26-18)13-3-5-14(6-4-13)23-20-21-9-2-10-22-20/h2-12H,1H3,(H,21,22,23)
InChIKeyDJTZYQXENYDCGS-UHFFFAOYSA-N
XLogP4.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one?
The IUPAC name of 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one (CID 108773151) is 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one.
What is the SMILES notation for 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one?
The canonical SMILES for 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one is COc1ccc2oc(-c3ccc(Nc4ncccn4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one?
The InChIKey is DJTZYQXENYDCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-15-7-8-18-16(11-15)17(24)12-19(26-18)13-3-5-14(6-4-13)23-20-21-9-2-10-22-20/h2-12H,1H3,(H,21,22,23).
What are the key properties of 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one?
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one has a molecular weight of 345.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one is sourced from PubChem (CID 108773151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).