4-cyclopentyl-5-fluoropyrimidin-2-amine

C9H12FN3 — CID 171659947

IUPAC4-cyclopentyl-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(C2CCCC2)n1
InChIInChI=1S/C9H12FN3/c10-7-5-12-9(11)13-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyKVRRKQIMNDKRMI-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.86
Rot. Bonds1

About 4-cyclopentyl-5-fluoropyrimidin-2-amine

4-cyclopentyl-5-fluoropyrimidin-2-amine (PubChem CID 171659947) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-cyclopentyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-5-fluoropyrimidin-2-amine
PubChem CID171659947
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name4-cyclopentyl-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(C2CCCC2)n1
InChIInChI=1S/C9H12FN3/c10-7-5-12-9(11)13-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyKVRRKQIMNDKRMI-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-5-fluoropyrimidin-2-amine (CID 171659947) is 4-cyclopentyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-5-fluoropyrimidin-2-amine?
The InChIKey is KVRRKQIMNDKRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-7-5-12-9(11)13-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13).
What are the key properties of 4-cyclopentyl-5-fluoropyrimidin-2-amine?
4-cyclopentyl-5-fluoropyrimidin-2-amine has a molecular weight of 181.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 171659947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).