8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H30N4O3 — CID 70766438

IUPAC8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCc1ncc(CN2CCC3(CC2)CN(CCC(C)C)C(=O)O3)cn1
InChIInChI=1S/C19H30N4O3/c1-15(2)4-7-23-14-19(26-18(23)24)5-8-22(9-6-19)12-16-10-20-17(13-25-3)21-11-16/h10-11,15H,4-9,12-14H2,1-3H3
InChIKeyUGOQIWZSUOGWEW-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.46
Rot. Bonds7

About 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70766438) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70766438
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCc1ncc(CN2CCC3(CC2)CN(CCC(C)C)C(=O)O3)cn1
InChIInChI=1S/C19H30N4O3/c1-15(2)4-7-23-14-19(26-18(23)24)5-8-22(9-6-19)12-16-10-20-17(13-25-3)21-11-16/h10-11,15H,4-9,12-14H2,1-3H3
InChIKeyUGOQIWZSUOGWEW-UHFFFAOYSA-N
XLogP2.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70766438) is 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCc1ncc(CN2CCC3(CC2)CN(CCC(C)C)C(=O)O3)cn1.
What is the InChIKey of 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UGOQIWZSUOGWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)4-7-23-14-19(26-18(23)24)5-8-22(9-6-19)12-16-10-20-17(13-25-3)21-11-16/h10-11,15H,4-9,12-14H2,1-3H3.
What are the key properties of 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70766438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).