2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine

C11H15ClFN3 — CID 79075798

IUPAC2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H15ClFN3/c1-7(8-4-2-3-5-8)15-10-9(13)6-14-11(12)16-10/h6-8H,2-5H2,1H3,(H,14,15,16)
InChIKeyUYDZUNCMERCBRR-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine (PubChem CID 79075798) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine
PubChem CID79075798
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H15ClFN3/c1-7(8-4-2-3-5-8)15-10-9(13)6-14-11(12)16-10/h6-8H,2-5H2,1H3,(H,14,15,16)
InChIKeyUYDZUNCMERCBRR-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine (CID 79075798) is 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine is CC(Nc1nc(Cl)ncc1F)C1CCCC1.
What is the InChIKey of 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine?
The InChIKey is UYDZUNCMERCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-7(8-4-2-3-5-8)15-10-9(13)6-14-11(12)16-10/h6-8H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine has a molecular weight of 243.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79075798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).