6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C19H24F2N4O5 — CID 55351827

IUPAC6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cc(CN(C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OC(F)F
InChIInChI=1S/C19H24F2N4O5/c1-10(15(26)14-16(22)24(3)19(28)25(4)17(14)27)23(2)9-11-6-7-12(30-18(20)21)13(8-11)29-5/h6-8,10,18H,9,22H2,1-5H3
InChIKeyURDLRAHCLXRWKF-UHFFFAOYSA-N
MW426.42 g/mol
LogP0.98
Rot. Bonds8

About 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 55351827) has the molecular formula C19H24F2N4O5 and a molecular weight of 426.42 g/mol. Its IUPAC name is 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID55351827
Molecular FormulaC19H24F2N4O5
Molecular Weight426.42 g/mol
Exact Mass426.17
IUPAC Name6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cc(CN(C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OC(F)F
InChIInChI=1S/C19H24F2N4O5/c1-10(15(26)14-16(22)24(3)19(28)25(4)17(14)27)23(2)9-11-6-7-12(30-18(20)21)13(8-11)29-5/h6-8,10,18H,9,22H2,1-5H3
InChIKeyURDLRAHCLXRWKF-UHFFFAOYSA-N
XLogP0.98
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27133743
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 3979174
2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-methylamino]propanoic acid
CID 122036778
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 3302099
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46632237
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 55524825
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55754801
1-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylethane-1,2-diamine
CID 116652609

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 55351827) is 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is COc1cc(CN(C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OC(F)F.
What is the InChIKey of 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is URDLRAHCLXRWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O5/c1-10(15(26)14-16(22)24(3)19(28)25(4)17(14)27)23(2)9-11-6-7-12(30-18(20)21)13(8-11)29-5/h6-8,10,18H,9,22H2,1-5H3.
What are the key properties of 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 426.42 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 55351827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).