4-methyl-7-pyrimidin-2-yloxychromen-2-one

C14H10N2O3 — CID 2099430

IUPAC4-methyl-7-pyrimidin-2-yloxychromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3ncccn3)ccc12
InChIInChI=1S/C14H10N2O3/c1-9-7-13(17)19-12-8-10(3-4-11(9)12)18-14-15-5-2-6-16-14/h2-8H,1H3
InChIKeyAOMMDYNYZLXEPQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.68
Rot. Bonds2

About 4-methyl-7-pyrimidin-2-yloxychromen-2-one

4-methyl-7-pyrimidin-2-yloxychromen-2-one (PubChem CID 2099430) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-methyl-7-pyrimidin-2-yloxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-pyrimidin-2-yloxychromen-2-one
PubChem CID2099430
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name4-methyl-7-pyrimidin-2-yloxychromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3ncccn3)ccc12
InChIInChI=1S/C14H10N2O3/c1-9-7-13(17)19-12-8-10(3-4-11(9)12)18-14-15-5-2-6-16-14/h2-8H,1H3
InChIKeyAOMMDYNYZLXEPQ-UHFFFAOYSA-N
XLogP2.68
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-Hydroxy-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one
CID 8111992
4-Methyl-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 44294683
4-Methyl-7-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy}coumarin
CID 44294687
4-Methoxy-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 44294988
7-Methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one
CID 71602714
4-Methyl-7-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]chromen-2-one
CID 71681061
3-[4-(2-Pyrimidinyloxy)phenyl]acrylic acid
CID 5706800
7-(6-Chloropyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 60706530
4-Propyl-7-pyrimidin-2-yloxychromen-2-one
CID 2099264
S-pyrimidin-2-yl 2-oxochromene-3-carbothioate
CID 90645395
6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
CID 135649243
4-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butoxy]chromen-2-one
CID 155521872

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-pyrimidin-2-yloxychromen-2-one?
The IUPAC name of 4-methyl-7-pyrimidin-2-yloxychromen-2-one (CID 2099430) is 4-methyl-7-pyrimidin-2-yloxychromen-2-one.
What is the SMILES notation for 4-methyl-7-pyrimidin-2-yloxychromen-2-one?
The canonical SMILES for 4-methyl-7-pyrimidin-2-yloxychromen-2-one is Cc1cc(=O)oc2cc(Oc3ncccn3)ccc12.
What is the InChIKey of 4-methyl-7-pyrimidin-2-yloxychromen-2-one?
The InChIKey is AOMMDYNYZLXEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-9-7-13(17)19-12-8-10(3-4-11(9)12)18-14-15-5-2-6-16-14/h2-8H,1H3.
What are the key properties of 4-methyl-7-pyrimidin-2-yloxychromen-2-one?
4-methyl-7-pyrimidin-2-yloxychromen-2-one has a molecular weight of 254.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-pyrimidin-2-yloxychromen-2-one is sourced from PubChem (CID 2099430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).