N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C18H29FN4 — CID 131931568

IUPACN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCCC2CCN(C3CCCC3)CC2)c1F
InChIInChI=1S/C18H29FN4/c1-2-16-17(19)18(22-13-21-16)20-10-7-14-8-11-23(12-9-14)15-5-3-4-6-15/h13-15H,2-12H2,1H3,(H,20,21,22)
InChIKeyBJQWDHVWHLWSGO-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 131931568) has the molecular formula C18H29FN4 and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID131931568
Molecular FormulaC18H29FN4
Molecular Weight320.46 g/mol
Exact Mass320.24
IUPAC NameN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCCC2CCN(C3CCCC3)CC2)c1F
InChIInChI=1S/C18H29FN4/c1-2-16-17(19)18(22-13-21-16)20-10-7-14-8-11-23(12-9-14)15-5-3-4-6-15/h13-15H,2-12H2,1H3,(H,20,21,22)
InChIKeyBJQWDHVWHLWSGO-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 131931568) is N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCCC2CCN(C3CCCC3)CC2)c1F.
What is the InChIKey of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is BJQWDHVWHLWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4/c1-2-16-17(19)18(22-13-21-16)20-10-7-14-8-11-23(12-9-14)15-5-3-4-6-15/h13-15H,2-12H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 320.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 131931568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).