cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone

C18H28FN5O — CID 75514646

IUPACcyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone
SMILESCCc1ncnc(NCCN2CCN(C(=O)C3CCCC3)CC2)c1F
InChIInChI=1S/C18H28FN5O/c1-2-15-16(19)17(22-13-21-15)20-7-8-23-9-11-24(12-10-23)18(25)14-5-3-4-6-14/h13-14H,2-12H2,1H3,(H,20,21,22)
InChIKeyMSUMHNALNMTAKF-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.92
Rot. Bonds6

About cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone (PubChem CID 75514646) has the molecular formula C18H28FN5O and a molecular weight of 349.45 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone
PubChem CID75514646
Molecular FormulaC18H28FN5O
Molecular Weight349.45 g/mol
Exact Mass349.23
IUPAC Namecyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone
SMILESCCc1ncnc(NCCN2CCN(C(=O)C3CCCC3)CC2)c1F
InChIInChI=1S/C18H28FN5O/c1-2-15-16(19)17(22-13-21-15)20-7-8-23-9-11-24(12-10-23)18(25)14-5-3-4-6-14/h13-14H,2-12H2,1H3,(H,20,21,22)
InChIKeyMSUMHNALNMTAKF-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone (CID 75514646) is cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone is CCc1ncnc(NCCN2CCN(C(=O)C3CCCC3)CC2)c1F.
What is the InChIKey of cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone?
The InChIKey is MSUMHNALNMTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O/c1-2-15-16(19)17(22-13-21-15)20-7-8-23-9-11-24(12-10-23)18(25)14-5-3-4-6-14/h13-14H,2-12H2,1H3,(H,20,21,22).
What are the key properties of cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone has a molecular weight of 349.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 75514646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).