8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C19H28N4O2 — CID 72904776

IUPAC8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)nc(C)n1
InChIInChI=1S/C19H28N4O2/c1-13(2)11-23-12-19(10-17(23)24)5-7-22(8-6-19)18(25)16-9-14(3)20-15(4)21-16/h9,13H,5-8,10-12H2,1-4H3
InChIKeyNEDBKFVHZOYIBK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.20
Rot. Bonds3

About 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72904776) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72904776
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)nc(C)n1
InChIInChI=1S/C19H28N4O2/c1-13(2)11-23-12-19(10-17(23)24)5-7-22(8-6-19)18(25)16-9-14(3)20-15(4)21-16/h9,13H,5-8,10-12H2,1-4H3
InChIKeyNEDBKFVHZOYIBK-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72904776) is 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)nc(C)n1.
What is the InChIKey of 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NEDBKFVHZOYIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)11-23-12-19(10-17(23)24)5-7-22(8-6-19)18(25)16-9-14(3)20-15(4)21-16/h9,13H,5-8,10-12H2,1-4H3.
What are the key properties of 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 344.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72904776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).