2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H24N4O2 — CID 72900797

IUPAC2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-13-19-10-14(11-20-13)17(24)21-8-6-18(7-9-21)5-4-16(23)22(12-18)15-2-3-15/h10-11,15H,2-9,12H2,1H3
InChIKeyWTLVCUIYVZISRG-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.79
Rot. Bonds2

About 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72900797) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72900797
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-13-19-10-14(11-20-13)17(24)21-8-6-18(7-9-21)5-4-16(23)22(12-18)15-2-3-15/h10-11,15H,2-9,12H2,1H3
InChIKeyWTLVCUIYVZISRG-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987
9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72874255
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
2-(1-methylpyrrolidin-3-yl)-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936878
2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70760251
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
2-cyclopropyl-9-[3-(1-methylpyrazol-4-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861774
9-(2-ethylpyrimidine-5-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137793
9-(2H-benzotriazole-5-carbonyl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72903419
2-[(3R)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97155669
9-(5-methyl-1H-pyrazole-3-carbonyl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113035
2-[(3S)-1-methylpyrrolidin-3-yl]-9-(5-methylthiophene-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97117386

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72900797) is 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1ncc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cn1.
What is the InChIKey of 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WTLVCUIYVZISRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-19-10-14(11-20-13)17(24)21-8-6-18(7-9-21)5-4-16(23)22(12-18)15-2-3-15/h10-11,15H,2-9,12H2,1H3.
What are the key properties of 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 328.42 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72900797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).