[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone

C18H26N4O2 — CID 110139378

IUPAC[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)C3CCCCO3)C2)C1
InChIInChI=1S/C18H26N4O2/c1-21(16-5-7-19-13-20-16)14-10-18(11-14)6-8-22(12-18)17(23)15-4-2-3-9-24-15/h5,7,13-15H,2-4,6,8-12H2,1H3
InChIKeyKZZUFBAZBPCZRC-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.86
Rot. Bonds3

About [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone (PubChem CID 110139378) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
PubChem CID110139378
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)C3CCCCO3)C2)C1
InChIInChI=1S/C18H26N4O2/c1-21(16-5-7-19-13-20-16)14-10-18(11-14)6-8-22(12-18)17(23)15-4-2-3-9-24-15/h5,7,13-15H,2-4,6,8-12H2,1H3
InChIKeyKZZUFBAZBPCZRC-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
CID 110139275
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
CID 110139235
N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139260
N-methyl-N-pyrimidin-4-yl-6-(thiophen-3-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 110139315
[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
CID 98894548
1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone
CID 110139183
(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171335788
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124416
N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone?
The IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone (CID 110139378) is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone is CN(c1ccncn1)C1CC2(CCN(C(=O)C3CCCCO3)C2)C1.
What is the InChIKey of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone?
The InChIKey is KZZUFBAZBPCZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(16-5-7-19-13-20-16)14-10-18(11-14)6-8-22(12-18)17(23)15-4-2-3-9-24-15/h5,7,13-15H,2-4,6,8-12H2,1H3.
What are the key properties of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone?
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 110139378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).