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

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 Name: 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
• Molecular Formula: C20H28FN5O4
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.21
• IUPAC Name: methyl N-[5-fluoro-2-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-4-yl]carbamate
• SMILES: COC(=O)Nc1nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F
• InChI: 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)
• InChIKey: DOTOXKODRQTKES-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 107.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).