7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one

C15H13N3O3 — CID 80866814

IUPAC7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
SMILESCc1nc(N)cc(Oc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C15H13N3O3/c1-8-5-15(19)21-12-6-10(3-4-11(8)12)20-14-7-13(16)17-9(2)18-14/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyFRSBWTYAYCRVTQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.57
Rot. Bonds2

About 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one

7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one (PubChem CID 80866814) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
PubChem CID80866814
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
SMILESCc1nc(N)cc(Oc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C15H13N3O3/c1-8-5-15(19)21-12-6-10(3-4-11(8)12)20-14-7-13(16)17-9(2)18-14/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyFRSBWTYAYCRVTQ-UHFFFAOYSA-N
XLogP2.57
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one 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

7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
CID 64594177
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one
CID 80752233
6-(4-methyl-2-oxochromen-7-yl)oxy-3-nitropyridine-2-carbonitrile
CID 133499979
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one
CID 101064405

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one?
The IUPAC name of 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one (CID 80866814) is 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one.
What is the SMILES notation for 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one?
The canonical SMILES for 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one is Cc1nc(N)cc(Oc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one?
The InChIKey is FRSBWTYAYCRVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-8-5-15(19)21-12-6-10(3-4-11(8)12)20-14-7-13(16)17-9(2)18-14/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one?
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one has a molecular weight of 283.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one is sourced from PubChem (CID 80866814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).