2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide

C21H27N5O — CID 172904075

IUPAC2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C3CC2CN(c2ccnc(C)n2)C3)c(C)c1
InChIInChI=1S/C21H27N5O/c1-13-7-14(2)21(15(3)8-13)24-20(27)12-26-17-9-18(26)11-25(10-17)19-5-6-22-16(4)23-19/h5-8,17-18H,9-12H2,1-4H3,(H,24,27)
InChIKeyDMTUWCCWLHVEIO-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.61
Rot. Bonds4

About 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 172904075) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID172904075
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C3CC2CN(c2ccnc(C)n2)C3)c(C)c1
InChIInChI=1S/C21H27N5O/c1-13-7-14(2)21(15(3)8-13)24-20(27)12-26-17-9-18(26)11-25(10-17)19-5-6-22-16(4)23-19/h5-8,17-18H,9-12H2,1-4H3,(H,24,27)
InChIKeyDMTUWCCWLHVEIO-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide 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

N-(4-ethoxyphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 175651446
N-(3,4-difluorophenyl)-2-[3-(2-methylsulfanylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 171999450
(4-methylphenyl)-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 172882737
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
N-(2-ethoxyphenyl)-3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 172906115
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 50843517
2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine
CID 95841766
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 172904075) is 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2C3CC2CN(c2ccnc(C)n2)C3)c(C)c1.
What is the InChIKey of 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DMTUWCCWLHVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-13-7-14(2)21(15(3)8-13)24-20(27)12-26-17-9-18(26)11-25(10-17)19-5-6-22-16(4)23-19/h5-8,17-18H,9-12H2,1-4H3,(H,24,27).
What are the key properties of 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 172904075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).