1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea

C8H11FN4O2 — CID 172603480

IUPAC1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea
SMILESCCNC(=O)Nc1ncnc(CO)c1F
InChIInChI=1S/C8H11FN4O2/c1-2-10-8(15)13-7-6(9)5(3-14)11-4-12-7/h4,14H,2-3H2,1H3,(H2,10,11,12,13,15)
InChIKeyQQNXPEGAPJMUPS-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.25
Rot. Bonds3

About 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea

1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea (PubChem CID 172603480) has the molecular formula C8H11FN4O2 and a molecular weight of 214.20 g/mol. Its IUPAC name is 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea
PubChem CID172603480
Molecular FormulaC8H11FN4O2
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Name1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea
SMILESCCNC(=O)Nc1ncnc(CO)c1F
InChIInChI=1S/C8H11FN4O2/c1-2-10-8(15)13-7-6(9)5(3-14)11-4-12-7/h4,14H,2-3H2,1H3,(H2,10,11,12,13,15)
InChIKeyQQNXPEGAPJMUPS-UHFFFAOYSA-N
XLogP0.25
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea?
The IUPAC name of 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea (CID 172603480) is 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea is CCNC(=O)Nc1ncnc(CO)c1F.
What is the InChIKey of 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea?
The InChIKey is QQNXPEGAPJMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2/c1-2-10-8(15)13-7-6(9)5(3-14)11-4-12-7/h4,14H,2-3H2,1H3,(H2,10,11,12,13,15).
What are the key properties of 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea?
1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea has a molecular weight of 214.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea is sourced from PubChem (CID 172603480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).