3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one

C20H15N3O3 — CID 135479945

IUPAC3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(-c3cc(-c4ccccc4)nc(N)n3)c(O)c2c1
InChIInChI=1S/C20H15N3O3/c1-11-7-8-16-13(9-11)18(24)17(19(25)26-16)15-10-14(22-20(21)23-15)12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,21,22,23)
InChIKeyJUFUVTNVYUWQSR-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.51
Rot. Bonds2

About 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one

3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one (PubChem CID 135479945) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one.

Molecular Properties

Compound Name3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
PubChem CID135479945
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(-c3cc(-c4ccccc4)nc(N)n3)c(O)c2c1
InChIInChI=1S/C20H15N3O3/c1-11-7-8-16-13(9-11)18(24)17(19(25)26-16)15-10-14(22-20(21)23-15)12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,21,22,23)
InChIKeyJUFUVTNVYUWQSR-UHFFFAOYSA-N
XLogP3.51
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.51
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

5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
4-hydroxy-6-methyl-3-(6-phenylimino-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-2-yl)chromen-2-one
CID 135423708
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463
3,4-dihydroxy-6-phenylchromen-2-one
CID 54690428
5-methyl-3-phenyl-1-benzofuran-2-ol
CID 162399552
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
CID 71384416
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
CID 139218406
2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide
CID 137185746
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
3-[3-(4-chlorophenyl)-5-methyl-1H-indol-2-yl]-4-hydroxychromen-2-one
CID 122394241
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 164625158
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one?
The IUPAC name of 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one (CID 135479945) is 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one.
What is the SMILES notation for 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one?
The canonical SMILES for 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one is Cc1ccc2oc(=O)c(-c3cc(-c4ccccc4)nc(N)n3)c(O)c2c1.
What is the InChIKey of 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one?
The InChIKey is JUFUVTNVYUWQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-11-7-8-16-13(9-11)18(24)17(19(25)26-16)15-10-14(22-20(21)23-15)12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,21,22,23).
What are the key properties of 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one?
3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one has a molecular weight of 345.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one is sourced from PubChem (CID 135479945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).