2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine

C9H11ClFN3 — CID 56763783

IUPAC2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCCC1
InChIInChI=1S/C9H11ClFN3/c10-9-12-5-7(11)8(14-9)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)
InChIKeyHZWNTIIEAVMVKW-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.62
Rot. Bonds2

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

2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine (PubChem CID 56763783) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine
PubChem CID56763783
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCCC1
InChIInChI=1S/C9H11ClFN3/c10-9-12-5-7(11)8(14-9)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)
InChIKeyHZWNTIIEAVMVKW-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine (CID 56763783) is 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine?
The InChIKey is HZWNTIIEAVMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c10-9-12-5-7(11)8(14-9)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14).
What are the key properties of 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine?
2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine has a molecular weight of 215.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 56763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).