2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H27N5O3 — CID 70705443

IUPAC2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCNc1ncc(C(=O)N2CCCC3(CCC(=O)N(CCOC)C3)C2)cn1
InChIInChI=1S/C18H27N5O3/c1-19-17-20-10-14(11-21-17)16(25)23-7-3-5-18(13-23)6-4-15(24)22(12-18)8-9-26-2/h10-11H,3-9,12-13H2,1-2H3,(H,19,20,21)
InChIKeyZLZGYAOIMSTDKV-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.01
Rot. Bonds5

About 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70705443) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70705443
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCNc1ncc(C(=O)N2CCCC3(CCC(=O)N(CCOC)C3)C2)cn1
InChIInChI=1S/C18H27N5O3/c1-19-17-20-10-14(11-21-17)16(25)23-7-3-5-18(13-23)6-4-15(24)22(12-18)8-9-26-2/h10-11H,3-9,12-13H2,1-2H3,(H,19,20,21)
InChIKeyZLZGYAOIMSTDKV-UHFFFAOYSA-N
XLogP1.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70705443) is 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one is CNc1ncc(C(=O)N2CCCC3(CCC(=O)N(CCOC)C3)C2)cn1.
What is the InChIKey of 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZLZGYAOIMSTDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-19-17-20-10-14(11-21-17)16(25)23-7-3-5-18(13-23)6-4-15(24)22(12-18)8-9-26-2/h10-11H,3-9,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70705443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).