5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one

C18H27N3O4 — CID 154564767

IUPAC5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c(=O)[nH]1
InChIInChI=1S/C18H27N3O4/c1-11(2)15-8-13(22)9-18(25-15)4-6-21(7-5-18)17(24)14-10-19-12(3)20-16(14)23/h10-11,13,15,22H,4-9H2,1-3H3,(H,19,20,23)/t13-,15-/m1/s1
InChIKeyUXKBMMQFIWOVRU-UKRRQHHQSA-N
MW349.43 g/mol
LogP1.25
Rot. Bonds2

About 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 154564767) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID154564767
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c(=O)[nH]1
InChIInChI=1S/C18H27N3O4/c1-11(2)15-8-13(22)9-18(25-15)4-6-21(7-5-18)17(24)14-10-19-12(3)20-16(14)23/h10-11,13,15,22H,4-9H2,1-3H3,(H,19,20,23)/t13-,15-/m1/s1
InChIKeyUXKBMMQFIWOVRU-UKRRQHHQSA-N
XLogP1.25
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-5-[(5-hydroxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-4(3H)-pyrimidinone
CID 72937791
N-1,9-dioxaspiro[5.5]undec-4-yl-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 77089022
2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97155127
2-cyclopropyl-5-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97155128
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937243
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937245
3-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 154566229
6-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 154570209
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 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 154564767) is 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c(=O)[nH]1.
What is the InChIKey of 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UXKBMMQFIWOVRU-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11(2)15-8-13(22)9-18(25-15)4-6-21(7-5-18)17(24)14-10-19-12(3)20-16(14)23/h10-11,13,15,22H,4-9H2,1-3H3,(H,19,20,23)/t13-,15-/m1/s1.
What are the key properties of 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 349.43 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154564767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).