9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C19H27FN4O2 — CID 66722707

IUPAC9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOC1CCC(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2=O)CC1
InChIInChI=1S/C19H27FN4O2/c1-26-16-5-3-15(4-6-16)24-10-8-19(17(24)25)7-2-9-23(13-19)18-21-11-14(20)12-22-18/h11-12,15-16H,2-10,13H2,1H3
InChIKeyJZBAHOGAEJFQRY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.39
Rot. Bonds3

About 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722707) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722707
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOC1CCC(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2=O)CC1
InChIInChI=1S/C19H27FN4O2/c1-26-16-5-3-15(4-6-16)24-10-8-19(17(24)25)7-2-9-23(13-19)18-21-11-14(20)12-22-18/h11-12,15-16H,2-10,13H2,1H3
InChIKeyJZBAHOGAEJFQRY-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 66722707) is 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is COC1CCC(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2=O)CC1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JZBAHOGAEJFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-26-16-5-3-15(4-6-16)24-10-8-19(17(24)25)7-2-9-23(13-19)18-21-11-14(20)12-22-18/h11-12,15-16H,2-10,13H2,1H3.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 362.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).