4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile

C6H6FN5 — CID 89181721

IUPAC4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(F)nc(N)c1C#N
InChIInChI=1S/C6H6FN5/c1-10-5-3(2-8)4(9)11-6(7)12-5/h1H3,(H3,9,10,11,12)
InChIKeyMFVUUBBROAHTSI-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.11
Rot. Bonds1

About 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile

4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile (PubChem CID 89181721) has the molecular formula C6H6FN5 and a molecular weight of 167.15 g/mol. Its IUPAC name is 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile
PubChem CID89181721
Molecular FormulaC6H6FN5
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(F)nc(N)c1C#N
InChIInChI=1S/C6H6FN5/c1-10-5-3(2-8)4(9)11-6(7)12-5/h1H3,(H3,9,10,11,12)
InChIKeyMFVUUBBROAHTSI-UHFFFAOYSA-N
XLogP0.11
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile 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 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile (CID 89181721) is 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile is CNc1nc(F)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile?
The InChIKey is MFVUUBBROAHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5/c1-10-5-3(2-8)4(9)11-6(7)12-5/h1H3,(H3,9,10,11,12).
What are the key properties of 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile?
4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile has a molecular weight of 167.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-6-(methylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 89181721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).