2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide

C16H24N4O — CID 91841754

IUPAC2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(C)nc(CCNC(=O)CN2C[C@@H]3CC[C@H]2C3)n1
InChIInChI=1S/C16H24N4O/c1-11-7-12(2)19-15(18-11)5-6-17-16(21)10-20-9-13-3-4-14(20)8-13/h7,13-14H,3-6,8-10H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyRBURWKUQAXGSDB-KGLIPLIRSA-N
MW288.39 g/mol
LogP1.24
Rot. Bonds5

About 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide (PubChem CID 91841754) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
PubChem CID91841754
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(C)nc(CCNC(=O)CN2C[C@@H]3CC[C@H]2C3)n1
InChIInChI=1S/C16H24N4O/c1-11-7-12(2)19-15(18-11)5-6-17-16(21)10-20-9-13-3-4-14(20)8-13/h7,13-14H,3-6,8-10H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyRBURWKUQAXGSDB-KGLIPLIRSA-N
XLogP1.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide (CID 91841754) is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide is Cc1cc(C)nc(CCNC(=O)CN2C[C@@H]3CC[C@H]2C3)n1.
What is the InChIKey of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
The InChIKey is RBURWKUQAXGSDB-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-7-12(2)19-15(18-11)5-6-17-16(21)10-20-9-13-3-4-14(20)8-13/h7,13-14H,3-6,8-10H2,1-2H3,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 91841754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).