6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one

C20H15N3O2 — CID 56677162

IUPAC6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one
SMILESCc1cc(-c2ccccc2)nc(Nc2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C20H15N3O2/c1-13-11-17(14-5-3-2-4-6-14)23-20(21-13)22-16-8-9-18-15(12-16)7-10-19(24)25-18/h2-12H,1H3,(H,21,22,23)
InChIKeyPVGWASWLFJVKGZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.30
Rot. Bonds3

About 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one

6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one (PubChem CID 56677162) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one.

Molecular Properties

Compound Name6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one
PubChem CID56677162
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one
SMILESCc1cc(-c2ccccc2)nc(Nc2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C20H15N3O2/c1-13-11-17(14-5-3-2-4-6-14)23-20(21-13)22-16-8-9-18-15(12-16)7-10-19(24)25-18/h2-12H,1H3,(H,21,22,23)
InChIKeyPVGWASWLFJVKGZ-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-Methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 73321222
11-Methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,16,20,22-decaene
CID 73321223
(4-Methoxy-phenyl)-(4-methyl-quinazolin-2-yl)-amine
CID 647744
phenyl (E)-3-(2,4-diaminoquinazolin-6-yl)prop-2-enoate
CID 6476138
4-N-(4-methoxyphenyl)-6-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]pyrimidine-2,4-diamine
CID 72163601
N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine
CID 162656789
(16E)-4,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739807
2-[(6-Ethoxy-4-methylquinazolin-2-yl)amino]-6-phenylpyrimidin-4-ol
CID 135490814
N-[4-(benzyloxy)phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 5728131
N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide
CID 670758
4-[[4-(2-Amino-6-phenylpyrimidin-4-yl)phenoxy]methyl]-7-methylchromen-2-one
CID 46702558
2-[(6-Ethoxy-4-methylquinazolin-2-yl)amino]-6-methylpyrimidin-4-ol
CID 135435485

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one?
The IUPAC name of 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one (CID 56677162) is 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one.
What is the SMILES notation for 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one?
The canonical SMILES for 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one is Cc1cc(-c2ccccc2)nc(Nc2ccc3oc(=O)ccc3c2)n1.
What is the InChIKey of 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one?
The InChIKey is PVGWASWLFJVKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-11-17(14-5-3-2-4-6-14)23-20(21-13)22-16-8-9-18-15(12-16)7-10-19(24)25-18/h2-12H,1H3,(H,21,22,23).
What are the key properties of 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one?
6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one has a molecular weight of 329.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one is sourced from PubChem (CID 56677162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).