cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone

C16H23FN4O — CID 131943666

IUPACcyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCc1ncnc(NCC2CCCN(C(=O)C3CC3)C2)c1F
InChIInChI=1S/C16H23FN4O/c1-2-13-14(17)15(20-10-19-13)18-8-11-4-3-7-21(9-11)16(22)12-5-6-12/h10-12H,2-9H2,1H3,(H,18,19,20)
InChIKeyHLQAPAOGENDGHE-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.24
Rot. Bonds5

About cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone

cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 131943666) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID131943666
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Namecyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCc1ncnc(NCC2CCCN(C(=O)C3CC3)C2)c1F
InChIInChI=1S/C16H23FN4O/c1-2-13-14(17)15(20-10-19-13)18-8-11-4-3-7-21(9-11)16(22)12-5-6-12/h10-12H,2-9H2,1H3,(H,18,19,20)
InChIKeyHLQAPAOGENDGHE-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (CID 131943666) is cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is CCc1ncnc(NCC2CCCN(C(=O)C3CC3)C2)c1F.
What is the InChIKey of cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is HLQAPAOGENDGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-2-13-14(17)15(20-10-19-13)18-8-11-4-3-7-21(9-11)16(22)12-5-6-12/h10-12H,2-9H2,1H3,(H,18,19,20).
What are the key properties of cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 306.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 131943666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).