2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H26N4O4 — CID 72841912

IUPAC2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O4/c1-13-19-11-14(17(26)20-13)10-16(25)21-6-4-18(5-7-21)3-2-15(24)22(12-18)8-9-23/h11,23H,2-10,12H2,1H3,(H,19,20,26)
InChIKeyDUMNPDQWPITHIQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.16
Rot. Bonds4

About 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72841912) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72841912
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O4/c1-13-19-11-14(17(26)20-13)10-16(25)21-6-4-18(5-7-21)3-2-15(24)22(12-18)8-9-23/h11,23H,2-10,12H2,1H3,(H,19,20,26)
InChIKeyDUMNPDQWPITHIQ-UHFFFAOYSA-N
XLogP-0.16
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72841912) is 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ncc(CC(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DUMNPDQWPITHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-19-11-14(17(26)20-13)10-16(25)21-6-4-18(5-7-21)3-2-15(24)22(12-18)8-9-23/h11,23H,2-10,12H2,1H3,(H,19,20,26).
What are the key properties of 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.43 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72841912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).