6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine

C16H16ClN3O — CID 114734715

IUPAC6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc3cc(Cl)ccc3o2)nc(CC)n1
InChIInChI=1S/C16H16ClN3O/c1-3-15-19-12(9-16(20-15)18-4-2)14-8-10-7-11(17)5-6-13(10)21-14/h5-9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyRZTPZYJBXJRTRD-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.54
Rot. Bonds4

About 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine

6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine (PubChem CID 114734715) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine
PubChem CID114734715
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc3cc(Cl)ccc3o2)nc(CC)n1
InChIInChI=1S/C16H16ClN3O/c1-3-15-19-12(9-16(20-15)18-4-2)14-8-10-7-11(17)5-6-13(10)21-14/h5-9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyRZTPZYJBXJRTRD-UHFFFAOYSA-N
XLogP4.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
4-(5-chloro-1-benzofuran-2-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 114734774
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine (CID 114734715) is 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine is CCNc1cc(-c2cc3cc(Cl)ccc3o2)nc(CC)n1.
What is the InChIKey of 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine?
The InChIKey is RZTPZYJBXJRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-15-19-12(9-16(20-15)18-4-2)14-8-10-7-11(17)5-6-13(10)21-14/h5-9H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine?
6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine has a molecular weight of 301.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 114734715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).