2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C18H26N4O4 — CID 131684761

IUPAC2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ncc(OC)cn3)CC2)C1=O
InChIInChI=1S/C18H26N4O4/c1-25-11-10-22-7-3-4-18(17(22)24)5-8-21(9-6-18)16(23)15-19-12-14(26-2)13-20-15/h12-13H,3-11H2,1-2H3
InChIKeyQVNOMLTWHMMRSN-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 131684761) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID131684761
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ncc(OC)cn3)CC2)C1=O
InChIInChI=1S/C18H26N4O4/c1-25-11-10-22-7-3-4-18(17(22)24)5-8-21(9-6-18)16(23)15-19-12-14(26-2)13-20-15/h12-13H,3-11H2,1-2H3
InChIKeyQVNOMLTWHMMRSN-UHFFFAOYSA-N
XLogP0.98
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 131684761) is 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is COCCN1CCCC2(CCN(C(=O)c3ncc(OC)cn3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is QVNOMLTWHMMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-25-11-10-22-7-3-4-18(17(22)24)5-8-21(9-6-18)16(23)15-19-12-14(26-2)13-20-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 362.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131684761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).