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

C19H30N4O3 — CID 70773275

IUPAC2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCc1ncc(CN2CCC3(CCC(=O)N(CC(C)O)C3)CC2)cn1
InChIInChI=1S/C19H30N4O3/c1-15(24)11-23-14-19(4-3-18(23)25)5-7-22(8-6-19)12-16-9-20-17(13-26-2)21-10-16/h9-10,15,24H,3-8,11-14H2,1-2H3
InChIKeyULRQVAPYUYVIRT-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.21
Rot. Bonds6

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

2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70773275) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70773275
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCc1ncc(CN2CCC3(CCC(=O)N(CC(C)O)C3)CC2)cn1
InChIInChI=1S/C19H30N4O3/c1-15(24)11-23-14-19(4-3-18(23)25)5-7-22(8-6-19)12-16-9-20-17(13-26-2)21-10-16/h9-10,15,24H,3-8,11-14H2,1-2H3
InChIKeyULRQVAPYUYVIRT-UHFFFAOYSA-N
XLogP1.21
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70773275) is 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is COCc1ncc(CN2CCC3(CCC(=O)N(CC(C)O)C3)CC2)cn1.
What is the InChIKey of 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ULRQVAPYUYVIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(24)11-23-14-19(4-3-18(23)25)5-7-22(8-6-19)12-16-9-20-17(13-26-2)21-10-16/h9-10,15,24H,3-8,11-14H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70773275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).