4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide

C8H11FN4O2 — CID 58138382

IUPAC4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide
SMILESCC(C)NC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H11FN4O2/c1-4(2)11-7(14)13-3-5(9)6(10)12-8(13)15/h3-4H,1-2H3,(H,11,14)(H2,10,12,15)
InChIKeyCDXUFNLKUDXBLP-UHFFFAOYSA-N
MW214.20 g/mol
LogP-0.07
Rot. Bonds1

About 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide

4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide (PubChem CID 58138382) has the molecular formula C8H11FN4O2 and a molecular weight of 214.20 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide
PubChem CID58138382
Molecular FormulaC8H11FN4O2
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Name4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide
SMILESCC(C)NC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H11FN4O2/c1-4(2)11-7(14)13-3-5(9)6(10)12-8(13)15/h3-4H,1-2H3,(H,11,14)(H2,10,12,15)
InChIKeyCDXUFNLKUDXBLP-UHFFFAOYSA-N
XLogP-0.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide?
The IUPAC name of 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide (CID 58138382) is 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide.
What is the SMILES notation for 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide?
The canonical SMILES for 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide is CC(C)NC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide?
The InChIKey is CDXUFNLKUDXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2/c1-4(2)11-7(14)13-3-5(9)6(10)12-8(13)15/h3-4H,1-2H3,(H,11,14)(H2,10,12,15).
What are the key properties of 4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide?
4-amino-5-fluoro-2-oxo-N-propan-2-ylpyrimidine-1-carboxamide has a molecular weight of 214.20 g/mol, XLogP of -0.07, 1 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-oxo-N-propan-2-ylpyrimidine-1-carboxamide is sourced from PubChem (CID 58138382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).