(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one

C18H24N4O3 — CID 97142633

IUPAC(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCC[C@@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1=O
InChIInChI=1S/C18H24N4O3/c1-2-21-8-3-6-18(17(21)25)7-9-22(11-18)16(24)13-10-19-14(12-4-5-12)20-15(13)23/h10,12H,2-9,11H2,1H3,(H,19,20,23)/t18-/m0/s1
InChIKeyVQYQXDHTSGUMPX-SFHVURJKSA-N
MW344.42 g/mol
LogP1.12
Rot. Bonds3

About (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97142633) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97142633
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCC[C@@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1=O
InChIInChI=1S/C18H24N4O3/c1-2-21-8-3-6-18(17(21)25)7-9-22(11-18)16(24)13-10-19-14(12-4-5-12)20-15(13)23/h10,12H,2-9,11H2,1H3,(H,19,20,23)/t18-/m0/s1
InChIKeyVQYQXDHTSGUMPX-SFHVURJKSA-N
XLogP1.12
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126438724
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148031
2-cyclobutyl-5-(4,11-dioxa-1,8-diazaspiro[5.6]dodecane-8-carbonyl)-1H-pyrimidin-6-one
CID 155957271
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154865329
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
(3S,4S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 86282963
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 56908194
(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97129129
7-(cyclopropylmethyl)-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45237711

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one (CID 97142633) is (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one is CCN1CCC[C@@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1=O.
What is the InChIKey of (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VQYQXDHTSGUMPX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-21-8-3-6-18(17(21)25)7-9-22(11-18)16(24)13-10-19-14(12-4-5-12)20-15(13)23/h10,12H,2-9,11H2,1H3,(H,19,20,23)/t18-/m0/s1.
What are the key properties of (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97142633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).