6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one

C15H13N3O3 — CID 135649243

IUPAC6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one
SMILESCc1cc(=O)oc2c(C)c(O)c(-c3ccnc(N)n3)cc12
InChIInChI=1S/C15H13N3O3/c1-7-5-12(19)21-14-8(2)13(20)10(6-9(7)14)11-3-4-17-15(16)18-11/h3-6,20H,1-2H3,(H2,16,17,18)
InChIKeyWBWQRDLDPSOJSX-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.15
Rot. Bonds1

About 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one

6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one (PubChem CID 135649243) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one
PubChem CID135649243
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one
SMILESCc1cc(=O)oc2c(C)c(O)c(-c3ccnc(N)n3)cc12
InChIInChI=1S/C15H13N3O3/c1-7-5-12(19)21-14-8(2)13(20)10(6-9(7)14)11-3-4-17-15(16)18-11/h3-6,20H,1-2H3,(H2,16,17,18)
InChIKeyWBWQRDLDPSOJSX-UHFFFAOYSA-N
XLogP2.15
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one (CID 135649243) is 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one is Cc1cc(=O)oc2c(C)c(O)c(-c3ccnc(N)n3)cc12.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one?
The InChIKey is WBWQRDLDPSOJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-7-5-12(19)21-14-8(2)13(20)10(6-9(7)14)11-3-4-17-15(16)18-11/h3-6,20H,1-2H3,(H2,16,17,18).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one?
6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one has a molecular weight of 283.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-7-hydroxy-4,8-dimethylchromen-2-one is sourced from PubChem (CID 135649243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).