3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione

C22H22F3N3O3 — CID 11751752

IUPAC3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
SMILESCOc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N)c2=O)c1F
InChIInChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m1/s1
InChIKeyUUYVCIJKZWTODH-GFCCVEGCSA-N
MW433.43 g/mol
LogP2.81
Rot. Bonds6

About 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione

3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione (PubChem CID 11751752) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
PubChem CID11751752
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
SMILESCOc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N)c2=O)c1F
InChIInChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m1/s1
InChIKeyUUYVCIJKZWTODH-GFCCVEGCSA-N
XLogP2.81
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione (CID 11751752) is 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione is COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N)c2=O)c1F.
What is the InChIKey of 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is UUYVCIJKZWTODH-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 433.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).