(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane

C17H21N4O2P — CID 174445331

IUPAC(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane
SMILESCOc1nc2nc(C)nc(C(=O)c3c(C)cc(C)cc3C)c2[nH]1.P
InChIInChI=1S/C17H18N4O2.H3P/c1-8-6-9(2)12(10(3)7-8)15(22)13-14-16(19-11(4)18-13)21-17(20-14)23-5;/h6-7H,1-5H3,(H,18,19,20,21);1H3
InChIKeyHQKIEYFSZCQLEV-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.88
Rot. Bonds3

About (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane

(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane (PubChem CID 174445331) has the molecular formula C17H21N4O2P and a molecular weight of 344.36 g/mol. Its IUPAC name is (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane.

Molecular Properties

Compound Name(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane
PubChem CID174445331
Molecular FormulaC17H21N4O2P
Molecular Weight344.36 g/mol
Exact Mass344.14
IUPAC Name(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane
SMILESCOc1nc2nc(C)nc(C(=O)c3c(C)cc(C)cc3C)c2[nH]1.P
InChIInChI=1S/C17H18N4O2.H3P/c1-8-6-9(2)12(10(3)7-8)15(22)13-14-16(19-11(4)18-13)21-17(20-14)23-5;/h6-7H,1-5H3,(H,18,19,20,21);1H3
InChIKeyHQKIEYFSZCQLEV-UHFFFAOYSA-N
XLogP2.88
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone
CID 174445332
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
2-methoxy-7-methyl-1H-imidazo[4,5-b]pyridine
CID 22067363
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone
CID 106680059
6-amino-8-methoxy-1,7-dihydropurin-2-one
CID 89175447
2-[(2S)-hexan-2-yl]oxy-8-methoxy-7H-purin-6-amine;2,2,2-trifluoroacetic acid
CID 66727033
1,3-thiazol-4-yl-(2,4,6-trimethylphenyl)methanone
CID 114993371
4-(2,4,6-trimethylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340298
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane?
The IUPAC name of (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane (CID 174445331) is (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane.
What is the SMILES notation for (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane?
The canonical SMILES for (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane is COc1nc2nc(C)nc(C(=O)c3c(C)cc(C)cc3C)c2[nH]1.P.
What is the InChIKey of (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane?
The InChIKey is HQKIEYFSZCQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.H3P/c1-8-6-9(2)12(10(3)7-8)15(22)13-14-16(19-11(4)18-13)21-17(20-14)23-5;/h6-7H,1-5H3,(H,18,19,20,21);1H3.
What are the key properties of (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane?
(8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane has a molecular weight of 344.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-2-methyl-7H-purin-6-yl)-(2,4,6-trimethylphenyl)methanone;phosphane is sourced from PubChem (CID 174445331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).