3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C18H30N4O2 — CID 118744836

IUPAC3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(c3cc(OC)ncn3)CC2)CN1C(C)C
InChIInChI=1S/C18H30N4O2/c1-14(2)22-12-18(10-15(22)11-23-3)5-7-21(8-6-18)16-9-17(24-4)20-13-19-16/h9,13-15H,5-8,10-12H2,1-4H3
InChIKeyVYAZVAROUNFAQX-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.20
Rot. Bonds5

About 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118744836) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118744836
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(c3cc(OC)ncn3)CC2)CN1C(C)C
InChIInChI=1S/C18H30N4O2/c1-14(2)22-12-18(10-15(22)11-23-3)5-7-21(8-6-18)16-9-17(24-4)20-13-19-16/h9,13-15H,5-8,10-12H2,1-4H3
InChIKeyVYAZVAROUNFAQX-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 118744836) is 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(c3cc(OC)ncn3)CC2)CN1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is VYAZVAROUNFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)22-12-18(10-15(22)11-23-3)5-7-21(8-6-18)16-9-17(24-4)20-13-19-16/h9,13-15H,5-8,10-12H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 334.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118744836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).