2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one

C20H18FN5O — CID 143767822

IUPAC2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one
SMILESCc1ccc(CNn2c(-c3ccc(F)cc3)nc3ncn(C)c3c2=O)cc1
InChIInChI=1S/C20H18FN5O/c1-13-3-5-14(6-4-13)11-23-26-19(15-7-9-16(21)10-8-15)24-18-17(20(26)27)25(2)12-22-18/h3-10,12,23H,11H2,1-2H3
InChIKeyFTKLAZQDJQZPEC-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one

2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one (PubChem CID 143767822) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one
PubChem CID143767822
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one
SMILESCc1ccc(CNn2c(-c3ccc(F)cc3)nc3ncn(C)c3c2=O)cc1
InChIInChI=1S/C20H18FN5O/c1-13-3-5-14(6-4-13)11-23-26-19(15-7-9-16(21)10-8-15)24-18-17(20(26)27)25(2)12-22-18/h3-10,12,23H,11H2,1-2H3
InChIKeyFTKLAZQDJQZPEC-UHFFFAOYSA-N
XLogP2.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one
CID 46835268
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 25197257
2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one
CID 24991648
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196128
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 25195810
tert-butyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methylamino]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 143767824
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 25196347
1,7-dimethylpurin-6-one;propane
CID 142357897
3-[(3,4-dichlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196026
N-[(4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)-2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91894137
N,4-bis[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004746

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one (CID 143767822) is 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one is Cc1ccc(CNn2c(-c3ccc(F)cc3)nc3ncn(C)c3c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one?
The InChIKey is FTKLAZQDJQZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-13-3-5-14(6-4-13)11-23-26-19(15-7-9-16(21)10-8-15)24-18-17(20(26)27)25(2)12-22-18/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one?
2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one has a molecular weight of 363.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methyl-1-[(4-methylphenyl)methylamino]purin-6-one is sourced from PubChem (CID 143767822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).