6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C17H20ClFN4O4 — CID 24566387

IUPAC6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C17H20ClFN4O4/c1-22(8-10-11(18)4-3-5-12(10)19)9-13(24)14-15(20)23(6-7-27-2)17(26)21-16(14)25/h3-5H,6-9,20H2,1-2H3,(H,21,25,26)
InChIKeyYISGWCPLWDKGGB-UHFFFAOYSA-N
MW398.82 g/mol
LogP0.87
Rot. Bonds8

About 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 24566387) has the molecular formula C17H20ClFN4O4 and a molecular weight of 398.82 g/mol. Its IUPAC name is 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID24566387
Molecular FormulaC17H20ClFN4O4
Molecular Weight398.82 g/mol
Exact Mass398.12
IUPAC Name6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C17H20ClFN4O4/c1-22(8-10-11(18)4-3-5-12(10)19)9-13(24)14-15(20)23(6-7-27-2)17(26)21-16(14)25/h3-5H,6-9,20H2,1-2H3,(H,21,25,26)
InChIKeyYISGWCPLWDKGGB-UHFFFAOYSA-N
XLogP0.87
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 24665174
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 4816263
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718328
6-amino-1-(2-methoxyethyl)-5-[2-(N-methyl-2-phenoxyanilino)acetyl]pyrimidine-2,4-dione
CID 56549542
6-amino-5-[benzyl-[(2,6-dichlorophenyl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 36956398
6-amino-5-[2-[(2-methoxyphenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4851075
6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56525760
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chloro-6-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 4816291
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725732
6-amino-5-[2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24565518
6-amino-5-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42409457
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007048

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 24566387) is 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN(C)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is YISGWCPLWDKGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O4/c1-22(8-10-11(18)4-3-5-12(10)19)9-13(24)14-15(20)23(6-7-27-2)17(26)21-16(14)25/h3-5H,6-9,20H2,1-2H3,(H,21,25,26).
What are the key properties of 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 398.82 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 24566387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).