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

C18H25N3O4 — CID 72904130

IUPAC2-cyclopropyl-5-[(1R,3S)-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+/m1/s1
InChIKeyLTVCLSJYUQUCMX-KGLIPLIRSA-N
MW347.42 g/mol
LogP1.04
Rot. Bonds4

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

2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72904130) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
PubChem CID72904130
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-cyclopropyl-5-[(1R,3S)-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+/m1/s1
InChIKeyLTVCLSJYUQUCMX-KGLIPLIRSA-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

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

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Related Compounds

5-{[(1R*,3S*)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]non-7-yl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72928539
5-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]carbonyl}-2-isopropyl-4(3H)-pyrimidinone
CID 72838695
5-{[(1R*,3S*)-1-hydroxy-3-methoxy-7-azaspiro[3.5]non-7-yl]carbonyl}-4(3H)-pyrimidinone
CID 72848617
2-cyclopropyl-5-{[3-ethyl-3-(hydroxymethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72871697
2-cyclopropyl-5-{[3-(hydroxymethyl)-3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72929345
2-cyclopropyl-5-[(3S)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124182
2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124183
2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97151288
2-cyclopropyl-5-[(3S)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97151289
2-cyclopropyl-5-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
CID 133119087
5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
CID 133128368
5-[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonane-7-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 133128755

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one (CID 72904130) is 2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(1R,3S)-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-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LTVCLSJYUQUCMX-KGLIPLIRSA-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+/m1/s1.
What are the key properties of 2-cyclopropyl-5-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(1R,3S)-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-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72904130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).