6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one

C16H15N3O3 — CID 135629337

IUPAC6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one
SMILESCc1c(C)c2cc(-c3ccnc(N)n3)c(O)c(C)c2oc1=O
InChIInChI=1S/C16H15N3O3/c1-7-8(2)15(21)22-14-9(3)13(20)11(6-10(7)14)12-4-5-18-16(17)19-12/h4-6,20H,1-3H3,(H2,17,18,19)
InChIKeyLJIXLYCADYQHKN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.46
Rot. Bonds1

About 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one

6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one (PubChem CID 135629337) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one
PubChem CID135629337
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one
SMILESCc1c(C)c2cc(-c3ccnc(N)n3)c(O)c(C)c2oc1=O
InChIInChI=1S/C16H15N3O3/c1-7-8(2)15(21)22-14-9(3)13(20)11(6-10(7)14)12-4-5-18-16(17)19-12/h4-6,20H,1-3H3,(H2,17,18,19)
InChIKeyLJIXLYCADYQHKN-UHFFFAOYSA-N
XLogP2.46
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-7-(7-hydroxy-3,4,8-trimethyl-2-oxochromen-6-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048774
2,4-bis(2-aminopyrimidin-4-yl)pyridin-3-ol;propanedioic acid
CID 137308255
8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
5-[2-(2-aminopyrimidin-4-yl)-3-methylfuro[2,3-c]pyridin-5-yl]oxypyridin-3-ol
CID 143616159
2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
CID 135482277
4-[5-bromo-1-(2,3,4,5,6-pentamethylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737089
7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 135882602
7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one
CID 15896028
7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine
CID 44527450
4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 91462753
6-(2-amino-3-hydroxy-4-pyridinyl)-2-(2-aminopyrimidin-4-yl)pyridin-3-ol
CID 137150134

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one (CID 135629337) is 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one is Cc1c(C)c2cc(-c3ccnc(N)n3)c(O)c(C)c2oc1=O.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one?
The InChIKey is LJIXLYCADYQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-7-8(2)15(21)22-14-9(3)13(20)11(6-10(7)14)12-4-5-18-16(17)19-12/h4-6,20H,1-3H3,(H2,17,18,19).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one?
6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.46, 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-3,4,8-trimethylchromen-2-one is sourced from PubChem (CID 135629337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).