9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

C18H26N4O2 — CID 131687106

IUPAC9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2
InChIInChI=1S/C18H26N4O2/c1-4-21-11-18(6-5-15(21)23)7-9-22(10-8-18)17(24)16-13(2)14(3)19-12-20-16/h12H,4-11H2,1-3H3
InChIKeyMQGAYSLRPRTUCE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.96
Rot. Bonds2

About 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131687106) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID131687106
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2
InChIInChI=1S/C18H26N4O2/c1-4-21-11-18(6-5-15(21)23)7-9-22(10-8-18)17(24)16-13(2)14(3)19-12-20-16/h12H,4-11H2,1-3H3
InChIKeyMQGAYSLRPRTUCE-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686555
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
9-(5,6-dimethylpyrimidin-4-yl)-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97116547
2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
2-ethyl-9-(3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857950
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040
9-(2,2-dimethyl-1-phenylcyclopropanecarbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72912025
9-(4-methylpyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72883442
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (CID 131687106) is 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2.
What is the InChIKey of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MQGAYSLRPRTUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21-11-18(6-5-15(21)23)7-9-22(10-8-18)17(24)16-13(2)14(3)19-12-20-16/h12H,4-11H2,1-3H3.
What are the key properties of 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131687106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).