6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine

C13H20N4O — CID 80853390

IUPAC6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CC3CCC2O3)c1C
InChIInChI=1S/C13H20N4O/c1-3-14-12-8(2)13(16-7-15-12)17-10-6-9-4-5-11(10)18-9/h7,9-11H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyHFGCZBZJBRVPRT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds4

About 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80853390) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
PubChem CID80853390
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CC3CCC2O3)c1C
InChIInChI=1S/C13H20N4O/c1-3-14-12-8(2)13(16-7-15-12)17-10-6-9-4-5-11(10)18-9/h7,9-11H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyHFGCZBZJBRVPRT-UHFFFAOYSA-N
XLogP1.95
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine 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

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
5-ethyl-6-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853830
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 103760464
6-ethoxy-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,5-diamine
CID 80714776
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
4-N,6-N-bis[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrimidine-4,6-diamine
CID 129429968
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
6-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 80720746
4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819298
2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80956653

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine (CID 80853390) is 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine is CCNc1ncnc(NC2CC3CCC2O3)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is HFGCZBZJBRVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-14-12-8(2)13(16-7-15-12)17-10-6-9-4-5-11(10)18-9/h7,9-11H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80853390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).