4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C15H18N4O — CID 80836114

IUPAC4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC1COc2ccccc21
InChIInChI=1S/C15H18N4O/c1-3-10-14(16-2)17-9-18-15(10)19-12-8-20-13-7-5-4-6-11(12)13/h4-7,9,12H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyNEXFTSCPSIQYBC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.63
Rot. Bonds4

About 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80836114) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80836114
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC1COc2ccccc21
InChIInChI=1S/C15H18N4O/c1-3-10-14(16-2)17-9-18-15(10)19-12-8-20-13-7-5-4-6-11(12)13/h4-7,9,12H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyNEXFTSCPSIQYBC-UHFFFAOYSA-N
XLogP2.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-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-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80835746
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
CID 63728697
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
CID 113367866
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856330
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385634
N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326930
5-ethyl-6-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853830
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62065580
5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80804231

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80836114) is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1NC1COc2ccccc21.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is NEXFTSCPSIQYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-10-14(16-2)17-9-18-15(10)19-12-8-20-13-7-5-4-6-11(12)13/h4-7,9,12H,3,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80836114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).