(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone

C18H28N4O — CID 56740288

IUPAC(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCN(C)CC3)CC2)nc(C)n1
InChIInChI=1S/C18H28N4O/c1-14-13-16(20-15(2)19-14)17(23)22-9-4-5-18(8-12-22)6-10-21(3)11-7-18/h13H,4-12H2,1-3H3
InChIKeyXUHQDVFMXVSCEZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.43
Rot. Bonds1

About (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone

(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone (PubChem CID 56740288) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone
PubChem CID56740288
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCN(C)CC3)CC2)nc(C)n1
InChIInChI=1S/C18H28N4O/c1-14-13-16(20-15(2)19-14)17(23)22-9-4-5-18(8-12-22)6-10-21(3)11-7-18/h13H,4-12H2,1-3H3
InChIKeyXUHQDVFMXVSCEZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone with MolForge

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Related Compounds

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 135095838
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42507900
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138808621
(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 102538212
(2,6-dimethylpyrimidin-4-yl)-[4-(4-phenylbutyl)-1,4-diazepan-1-yl]methanone
CID 138381184
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324359
(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72932755

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone (CID 56740288) is (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone is Cc1cc(C(=O)N2CCCC3(CCN(C)CC3)CC2)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
The InChIKey is XUHQDVFMXVSCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-13-16(20-15(2)19-14)17(23)22-9-4-5-18(8-12-22)6-10-21(3)11-7-18/h13H,4-12H2,1-3H3.
What are the key properties of (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone is sourced from PubChem (CID 56740288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).