4,6-diamino-2-fluoropyrimidine-5-carbonitrile

C5H4FN5 — CID 89180739

IUPAC4,6-diamino-2-fluoropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(F)nc1N
InChIInChI=1S/C5H4FN5/c6-5-10-3(8)2(1-7)4(9)11-5/h(H4,8,9,10,11)
InChIKeyGGJJWDOKSODTEY-UHFFFAOYSA-N
MW153.12 g/mol
LogP-0.35
Rot. Bonds

About 4,6-diamino-2-fluoropyrimidine-5-carbonitrile

4,6-diamino-2-fluoropyrimidine-5-carbonitrile (PubChem CID 89180739) has the molecular formula C5H4FN5 and a molecular weight of 153.12 g/mol. Its IUPAC name is 4,6-diamino-2-fluoropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-fluoropyrimidine-5-carbonitrile
PubChem CID89180739
Molecular FormulaC5H4FN5
Molecular Weight153.12 g/mol
Exact Mass153.05
IUPAC Name4,6-diamino-2-fluoropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(F)nc1N
InChIInChI=1S/C5H4FN5/c6-5-10-3(8)2(1-7)4(9)11-5/h(H4,8,9,10,11)
InChIKeyGGJJWDOKSODTEY-UHFFFAOYSA-N
XLogP-0.35
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-fluoropyrimidine-5-carbonitrile?
The IUPAC name of 4,6-diamino-2-fluoropyrimidine-5-carbonitrile (CID 89180739) is 4,6-diamino-2-fluoropyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-fluoropyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-2-fluoropyrimidine-5-carbonitrile is N#Cc1c(N)nc(F)nc1N.
What is the InChIKey of 4,6-diamino-2-fluoropyrimidine-5-carbonitrile?
The InChIKey is GGJJWDOKSODTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN5/c6-5-10-3(8)2(1-7)4(9)11-5/h(H4,8,9,10,11).
What are the key properties of 4,6-diamino-2-fluoropyrimidine-5-carbonitrile?
4,6-diamino-2-fluoropyrimidine-5-carbonitrile has a molecular weight of 153.12 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-fluoropyrimidine-5-carbonitrile is sourced from PubChem (CID 89180739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).