2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide

C14H15FN4O3 — CID 53201805

IUPAC2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C14H15FN4O3/c1-22-8-11-6-13(21)19(14(16)18-11)7-12(20)17-10-4-2-9(15)3-5-10/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,20)
InChIKeyOPHZGNVZQAUHED-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.75
Rot. Bonds5

About 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53201805) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53201805
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C14H15FN4O3/c1-22-8-11-6-13(21)19(14(16)18-11)7-12(20)17-10-4-2-9(15)3-5-10/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,20)
InChIKeyOPHZGNVZQAUHED-UHFFFAOYSA-N
XLogP0.75
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53201791
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 53201654
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748810
2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 51364963
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 136684319
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542
N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 53201660

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 53201805) is 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide is COCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N)n1.
What is the InChIKey of 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is OPHZGNVZQAUHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-22-8-11-6-13(21)19(14(16)18-11)7-12(20)17-10-4-2-9(15)3-5-10/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 306.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53201805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).