2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one

C16H16FN5O — CID 3233220

IUPAC2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
SMILESCc1nc2cnc(N(C)C)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H16FN5O/c1-10-15(23)22(9-11-4-6-12(17)7-5-11)14-13(19-10)8-18-16(20-14)21(2)3/h4-8H,9H2,1-3H3
InChIKeyLWCWEIIBQVTDRG-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.75
Rot. Bonds3

About 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one

2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one (PubChem CID 3233220) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
PubChem CID3233220
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
SMILESCc1nc2cnc(N(C)C)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H16FN5O/c1-10-15(23)22(9-11-4-6-12(17)7-5-11)14-13(19-10)8-18-16(20-14)21(2)3/h4-8H,9H2,1-3H3
InChIKeyLWCWEIIBQVTDRG-UHFFFAOYSA-N
XLogP1.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Emapunil
CID 6433109
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-(2-Phenyl-1h-Imidazol-1-Yl)-7,8-Dihydropteridin-6(5h)-One
CID 58405631
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
2-[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005631
2-[(2R)-4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005985

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one (CID 3233220) is 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one is Cc1nc2cnc(N(C)C)nc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
The InChIKey is LWCWEIIBQVTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10-15(23)22(9-11-4-6-12(17)7-5-11)14-13(19-10)8-18-16(20-14)21(2)3/h4-8H,9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one has a molecular weight of 313.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one is sourced from PubChem (CID 3233220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).