9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H28FN5O2 — CID 97209012

IUPAC9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCNc1nc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)ncc1F
InChIInChI=1S/C19H28FN5O2/c1-21-17-15(20)11-22-18(23-17)24-8-6-19(7-9-24)5-4-16(26)25(13-19)12-14-3-2-10-27-14/h11,14H,2-10,12-13H2,1H3,(H,21,22,23)/t14-/m1/s1
InChIKeyRCYSELCDYSJQBE-CQSZACIVSA-N
MW377.46 g/mol
LogP2.05
Rot. Bonds4

About 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97209012) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97209012
Molecular FormulaC19H28FN5O2
Molecular Weight377.46 g/mol
Exact Mass377.22
IUPAC Name9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCNc1nc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)ncc1F
InChIInChI=1S/C19H28FN5O2/c1-21-17-15(20)11-22-18(23-17)24-8-6-19(7-9-24)5-4-16(26)25(13-19)12-14-3-2-10-27-14/h11,14H,2-10,12-13H2,1H3,(H,21,22,23)/t14-/m1/s1
InChIKeyRCYSELCDYSJQBE-CQSZACIVSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97209012) is 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is CNc1nc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)ncc1F.
What is the InChIKey of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RCYSELCDYSJQBE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28FN5O2/c1-21-17-15(20)11-22-18(23-17)24-8-6-19(7-9-24)5-4-16(26)25(13-19)12-14-3-2-10-27-14/h11,14H,2-10,12-13H2,1H3,(H,21,22,23)/t14-/m1/s1.
What are the key properties of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 377.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97209012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).