6-ethyl-5-fluoropyrimidine-2,4-diamine

C6H9FN4 — CID 135331966

IUPAC6-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1F
InChIInChI=1S/C6H9FN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11)
InChIKeyFUYUCIPTTRIVAQ-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.34
Rot. Bonds1

About 6-ethyl-5-fluoropyrimidine-2,4-diamine

6-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 135331966) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID135331966
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name6-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1F
InChIInChI=1S/C6H9FN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11)
InChIKeyFUYUCIPTTRIVAQ-UHFFFAOYSA-N
XLogP0.34
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-fluoropyrimidine-2,4-diamine (CID 135331966) is 6-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-fluoropyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1F.
What is the InChIKey of 6-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is FUYUCIPTTRIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11).
What are the key properties of 6-ethyl-5-fluoropyrimidine-2,4-diamine?
6-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 156.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 135331966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).