2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one

C16H17N5O2 — CID 3233681

IUPAC2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(C)nc3cnc(N(C)C)nc32)cc1
InChIInChI=1S/C16H17N5O2/c1-10-15(22)21(11-5-7-12(23-4)8-6-11)14-13(18-10)9-17-16(19-14)20(2)3/h5-9H,1-4H3
InChIKeyAFBWSKCWGDPKFR-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.56
Rot. Bonds3

About 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one

2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one (PubChem CID 3233681) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one
PubChem CID3233681
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(C)nc3cnc(N(C)C)nc32)cc1
InChIInChI=1S/C16H17N5O2/c1-10-15(22)21(11-5-7-12(23-4)8-6-11)14-13(18-10)9-17-16(19-14)20(2)3/h5-9H,1-4H3
InChIKeyAFBWSKCWGDPKFR-UHFFFAOYSA-N
XLogP1.56
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one (CID 3233681) is 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one is COc1ccc(-n2c(=O)c(C)nc3cnc(N(C)C)nc32)cc1.
What is the InChIKey of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one?
The InChIKey is AFBWSKCWGDPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-15(22)21(11-5-7-12(23-4)8-6-11)14-13(18-10)9-17-16(19-14)20(2)3/h5-9H,1-4H3.
What are the key properties of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one?
2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one has a molecular weight of 311.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(4-methoxyphenyl)-6-methylpteridin-7-one is sourced from PubChem (CID 3233681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).