2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one

C17H23N3O4 — CID 97155127

IUPAC2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C17H23N3O4/c21-13-2-1-9-24-17(13)5-7-20(8-6-17)16(23)12-10-18-14(11-3-4-11)19-15(12)22/h10-11,13,21H,1-9H2,(H,18,19,22)/t13-/m1/s1
InChIKeyJKNQSIBYYKVDEK-CYBMUJFWSA-N
MW333.39 g/mol
LogP0.79
Rot. Bonds2

About 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one (PubChem CID 97155127) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
PubChem CID97155127
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C17H23N3O4/c21-13-2-1-9-24-17(13)5-7-20(8-6-17)16(23)12-10-18-14(11-3-4-11)19-15(12)22/h10-11,13,21H,1-9H2,(H,18,19,22)/t13-/m1/s1
InChIKeyJKNQSIBYYKVDEK-CYBMUJFWSA-N
XLogP0.79
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[(5-hydroxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-4(3H)-pyrimidinone
CID 72937791
2-cyclopropyl-5-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97155128
9-(6-Hydroxy-2-isopropylpyrimidin-4-YL)-1-oxa-9-azaspiro[5.5]undecan-5-OL
CID 136216766
4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822778
4-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822779
5-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 154564767
5-{[rel-(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methyl-4(3H)-pyrimidinone formate
CID 165418245
5-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one;formic acid
CID 166598766

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one (CID 97155127) is 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC2(CC1)OCCC[C@H]2O.
What is the InChIKey of 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is JKNQSIBYYKVDEK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-13-2-1-9-24-17(13)5-7-20(8-6-17)16(23)12-10-18-14(11-3-4-11)19-15(12)22/h10-11,13,21H,1-9H2,(H,18,19,22)/t13-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 333.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97155127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).