6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane

C12H18N4 — CID 135162221

IUPAC6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCc1ncc(CN2CC3(CN(C)C3)C2)cn1
InChIInChI=1S/C12H18N4/c1-10-13-3-11(4-14-10)5-16-8-12(9-16)6-15(2)7-12/h3-4H,5-9H2,1-2H3
InChIKeyUYRYTKYWQOMEBX-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.53
Rot. Bonds2

About 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane

6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 135162221) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID135162221
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCc1ncc(CN2CC3(CN(C)C3)C2)cn1
InChIInChI=1S/C12H18N4/c1-10-13-3-11(4-14-10)5-16-8-12(9-16)6-15(2)7-12/h3-4H,5-9H2,1-2H3
InChIKeyUYRYTKYWQOMEBX-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane 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

7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 118221031
2-ethyl-5-[(2-methylpyrimidin-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144878183
6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
CID 98894753
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
4-fluoro-6-[5-fluoro-2-[[5-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]pyrimidin-2-yl]methyl]-4-pyridinyl]-2-methyl-1-propan-2-ylbenzimidazole
CID 149037021
N-[7-[(2-methylpyrimidin-5-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98895376
2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131889268
2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
CID 169307476
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide
CID 98895243
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 135162221) is 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane is Cc1ncc(CN2CC3(CN(C)C3)C2)cn1.
What is the InChIKey of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is UYRYTKYWQOMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10-13-3-11(4-14-10)5-16-8-12(9-16)6-15(2)7-12/h3-4H,5-9H2,1-2H3.
What are the key properties of 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane?
6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 218.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 135162221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).