4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine

C16H17Cl2N3O — CID 144978818

IUPAC4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine
SMILESCCc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1CC
InChIInChI=1S/C16H17Cl2N3O/c1-3-8-12(4-2)20-16(19)21-14(8)13-9-5-6-22-15(9)11(18)7-10(13)17/h7H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyWMKFRUYAJPWEFT-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.09
Rot. Bonds3

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine (PubChem CID 144978818) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine
PubChem CID144978818
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine
SMILESCCc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1CC
InChIInChI=1S/C16H17Cl2N3O/c1-3-8-12(4-2)20-16(19)21-14(8)13-9-5-6-22-15(9)11(18)7-10(13)17/h7H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyWMKFRUYAJPWEFT-UHFFFAOYSA-N
XLogP4.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine
CID 118587748
2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118587713
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
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
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
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
4,7-diethyl-2,3-dihydrofuro[2,3-d]pyridazine
CID 89016017
7-chloro-4-propyl-2,3-dihydro-1-benzofuran
CID 168905043
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
5-[[4-(3-chlorophenyl)-2,3-dihydroindol-1-yl]methyl]-6-ethylpyrimidine-2,4-diamine
CID 163290233
4-ethyl-7-methyl-2,3-dihydrofuro[2,3-d]pyridazine
CID 91139990
4-chloro-9-iodo-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidin-2-amine
CID 87740364

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine (CID 144978818) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine.
What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine is CCc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1CC.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine?
The InChIKey is WMKFRUYAJPWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-3-8-12(4-2)20-16(19)21-14(8)13-9-5-6-22-15(9)11(18)7-10(13)17/h7H,3-6H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine?
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine has a molecular weight of 338.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine is sourced from PubChem (CID 144978818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).