4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C15H17FN4O — CID 80797379

IUPAC4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C15H17FN4O/c1-2-17-15-19-9-12(16)14(20-15)18-8-11-7-10-5-3-4-6-13(10)21-11/h3-6,9,11H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyDWGMMWXQFOVQDP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.46
Rot. Bonds5

About 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80797379) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80797379
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C15H17FN4O/c1-2-17-15-19-9-12(16)14(20-15)18-8-11-7-10-5-3-4-6-13(10)21-11/h3-6,9,11H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyDWGMMWXQFOVQDP-UHFFFAOYSA-N
XLogP2.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80821761
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283
4-N-[(2-bromophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80794799
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80822499
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoropyrimidine-2,4-diamine
CID 11460065
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80797379) is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is DWGMMWXQFOVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-17-15-19-9-12(16)14(20-15)18-8-11-7-10-5-3-4-6-13(10)21-11/h3-6,9,11H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 288.33 g/mol, XLogP of 2.46, 5 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-2-ylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80797379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).