4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine

C11H17FN4 — CID 80841706

IUPAC4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine
SMILESCC1CCC(Nc2nc(N)ncc2F)C1C
InChIInChI=1S/C11H17FN4/c1-6-3-4-9(7(6)2)15-10-8(12)5-14-11(13)16-10/h5-7,9H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyWGCHKQLSWMDJLD-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.04
Rot. Bonds2

About 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine

4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80841706) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80841706
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine
SMILESCC1CCC(Nc2nc(N)ncc2F)C1C
InChIInChI=1S/C11H17FN4/c1-6-3-4-9(7(6)2)15-10-8(12)5-14-11(13)16-10/h5-7,9H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyWGCHKQLSWMDJLD-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine (CID 80841706) is 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine is CC1CCC(Nc2nc(N)ncc2F)C1C.
What is the InChIKey of 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is WGCHKQLSWMDJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-6-3-4-9(7(6)2)15-10-8(12)5-14-11(13)16-10/h5-7,9H,3-4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 224.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylcyclopentyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80841706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).