4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide

C5H5FN4O2 — CID 174607105

IUPAC4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide
SMILESNC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C5H5FN4O2/c6-2-1-10(4(8)11)5(12)9-3(2)7/h1H,(H2,8,11)(H2,7,9,12)
InChIKeyCMHGSXTWJMHJOY-UHFFFAOYSA-N
MW172.12 g/mol
LogP-1.11
Rot. Bonds

About 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide

4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide (PubChem CID 174607105) has the molecular formula C5H5FN4O2 and a molecular weight of 172.12 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide
PubChem CID174607105
Molecular FormulaC5H5FN4O2
Molecular Weight172.12 g/mol
Exact Mass172.04
IUPAC Name4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide
SMILESNC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C5H5FN4O2/c6-2-1-10(4(8)11)5(12)9-3(2)7/h1H,(H2,8,11)(H2,7,9,12)
InChIKeyCMHGSXTWJMHJOY-UHFFFAOYSA-N
XLogP-1.11
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-fluoro-1-methylpyrimidin-2(1H)-one
CID 255391
Cytosine-formamide
CID 129865441
1-Acetyl-4-amino-5-fluoropyrimidin-2-one
CID 18784305
4-amino-5-fluoro-1-vinylpyrimidin-2(1H)-one
CID 25023306
Methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138309
4-amino-5-fluoro-2-oxopyrimidine-1-carbothioic S-acid
CID 87213750
4-Amino-5-fluoro-1-hydroxypyrimidin-2-one
CID 122543927
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
CID 123217178
4-Amino-5-fluoro-1-(hydroxymethyl)pyrimidin-2-one
CID 129935371
4-Amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one
CID 22155148
4-Amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate
CID 22155156
4-Amino-5-fluoropyrimidin-1-id-2-one;rutherfordium
CID 57957639

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide?
The IUPAC name of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide (CID 174607105) is 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide.
What is the SMILES notation for 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide?
The canonical SMILES for 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide is NC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide?
The InChIKey is CMHGSXTWJMHJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN4O2/c6-2-1-10(4(8)11)5(12)9-3(2)7/h1H,(H2,8,11)(H2,7,9,12).
What are the key properties of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide?
4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide has a molecular weight of 172.12 g/mol, XLogP of -1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-2-oxopyrimidine-1-carboxamide is sourced from PubChem (CID 174607105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).