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

C21H18FN5O — CID 3233529

IUPAC2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H18FN5O/c1-26(2)21-23-12-17-19(25-21)27(13-14-8-10-16(22)11-9-14)20(28)18(24-17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyXMIQYXLTOXWIJF-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.11
Rot. Bonds4

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

2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one (PubChem CID 3233529) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
PubChem CID3233529
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H18FN5O/c1-26(2)21-23-12-17-19(25-21)27(13-14-8-10-16(22)11-9-14)20(28)18(24-17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyXMIQYXLTOXWIJF-UHFFFAOYSA-N
XLogP3.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Emapunil
CID 6433109
4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(2-(4-methylpiperazin-1-yl)-4-o-tolylpyrimidin-5-yl)propanamide
CID 9873032
Pyrido[2,3-d]pyrimidin-7-one deriv. 53
CID 5328649
N-Benzyl-N-ethyl-2-(7-11C-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide
CID 23624221
8-Cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one
CID 3233318
N-benzyl-N-ethyl-2-(7-(2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
CID 44582188

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one (CID 3233529) is 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one is CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The InChIKey is XMIQYXLTOXWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-26(2)21-23-12-17-19(25-21)27(13-14-8-10-16(22)11-9-14)20(28)18(24-17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one has a molecular weight of 375.41 g/mol, XLogP of 3.11, 4 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-phenylpteridin-7-one is sourced from PubChem (CID 3233529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).