6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine

C13H12Cl2N4O — CID 118587748

IUPAC6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1
InChIInChI=1S/C13H12Cl2N4O/c1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14/h4-5H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyMBHODKYCTJJREB-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.01
Rot. Bonds2

About 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine

6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 118587748) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID118587748
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1
InChIInChI=1S/C13H12Cl2N4O/c1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14/h4-5H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyMBHODKYCTJJREB-UHFFFAOYSA-N
XLogP3.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-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

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine
CID 144978818
2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118587713
2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine
CID 161039920
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
CID 129039863
6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 174775792
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone
CID 90189773
4-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 136576845
6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189659
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189196
2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine
CID 80952632

Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine (CID 118587748) is 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.
What is the InChIKey of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is MBHODKYCTJJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14/h4-5H,2-3H2,1H3,(H3,16,17,18,19).
What are the key properties of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine?
6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 311.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 118587748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).