2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O2 — CID 70769048

IUPAC2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(Cc1cnc(NCC3CCCO3)nc1)CC2
InChIInChI=1S/C20H31N5O2/c1-24-15-20(5-4-18(24)26)6-8-25(9-7-20)14-16-11-21-19(22-12-16)23-13-17-3-2-10-27-17/h11-12,17H,2-10,13-15H2,1H3,(H,21,22,23)
InChIKeySPKDQFXNJTYFOF-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70769048) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70769048
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(Cc1cnc(NCC3CCCO3)nc1)CC2
InChIInChI=1S/C20H31N5O2/c1-24-15-20(5-4-18(24)26)6-8-25(9-7-20)14-16-11-21-19(22-12-16)23-13-17-3-2-10-27-17/h11-12,17H,2-10,13-15H2,1H3,(H,21,22,23)
InChIKeySPKDQFXNJTYFOF-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70769048) is 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(Cc1cnc(NCC3CCCO3)nc1)CC2.
What is the InChIKey of 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SPKDQFXNJTYFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-24-15-20(5-4-18(24)26)6-8-25(9-7-20)14-16-11-21-19(22-12-16)23-13-17-3-2-10-27-17/h11-12,17H,2-10,13-15H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.50 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70769048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).