methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate

C20H28FN5O4 — CID 76677792

IUPACmethyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F
InChIInChI=1S/C20H28FN5O4/c1-30-19(29)24-16-15(21)11-22-18(23-16)25-9-2-7-20(12-25)8-10-26(17(20)28)13-3-5-14(27)6-4-13/h11,13-14,27H,2-10,12H2,1H3,(H,22,23,24,29)
InChIKeyDOTOXKODRQTKES-UHFFFAOYSA-N
MW421.47 g/mol
LogP1.92
Rot. Bonds3

About methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate

methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate (PubChem CID 76677792) has the molecular formula C20H28FN5O4 and a molecular weight of 421.47 g/mol. Its IUPAC name is methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate
PubChem CID76677792
Molecular FormulaC20H28FN5O4
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC Namemethyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F
InChIInChI=1S/C20H28FN5O4/c1-30-19(29)24-16-15(21)11-22-18(23-16)25-9-2-7-20(12-25)8-10-26(17(20)28)13-3-5-14(27)6-4-13/h11,13-14,27H,2-10,12H2,1H3,(H,22,23,24,29)
InChIKeyDOTOXKODRQTKES-UHFFFAOYSA-N
XLogP1.92
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate (CID 76677792) is methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate is COC(=O)Nc1nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F.
What is the InChIKey of methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate?
The InChIKey is DOTOXKODRQTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O4/c1-30-19(29)24-16-15(21)11-22-18(23-16)25-9-2-7-20(12-25)8-10-26(17(20)28)13-3-5-14(27)6-4-13/h11,13-14,27H,2-10,12H2,1H3,(H,22,23,24,29).
What are the key properties of methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate?
methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate has a molecular weight of 421.47 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 76677792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).