2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one

C18H25N3O4 — CID 133119087

IUPAC2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc(C3CC3)[nH]c1=O)CC2
InChIInChI=1S/C18H25N3O4/c1-2-25-14-9-13(22)18(14)5-7-21(8-6-18)17(24)12-10-19-15(11-3-4-11)20-16(12)23/h10-11,13-14,22H,2-9H2,1H3,(H,19,20,23)/t13-,14+/m0/s1
InChIKeyLTVCLSJYUQUCMX-UONOGXRCSA-N
MW347.42 g/mol
LogP1.04
Rot. Bonds4

About 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one (PubChem CID 133119087) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
PubChem CID133119087
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc(C3CC3)[nH]c1=O)CC2
InChIInChI=1S/C18H25N3O4/c1-2-25-14-9-13(22)18(14)5-7-21(8-6-18)17(24)12-10-19-15(11-3-4-11)20-16(12)23/h10-11,13-14,22H,2-9H2,1H3,(H,19,20,23)/t13-,14+/m0/s1
InChIKeyLTVCLSJYUQUCMX-UONOGXRCSA-N
XLogP1.04
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one (CID 133119087) is 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one is CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc(C3CC3)[nH]c1=O)CC2.
What is the InChIKey of 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LTVCLSJYUQUCMX-UONOGXRCSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-25-14-9-13(22)18(14)5-7-21(8-6-18)17(24)12-10-19-15(11-3-4-11)20-16(12)23/h10-11,13-14,22H,2-9H2,1H3,(H,19,20,23)/t13-,14+/m0/s1.
What are the key properties of 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 347.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 133119087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).