6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine

C12H8ClN3O — CID 114734697

IUPAC6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2cc3cc(Cl)ccc3o2)ncn1
InChIInChI=1S/C12H8ClN3O/c13-8-1-2-10-7(3-8)4-11(17-10)9-5-12(14)16-6-15-9/h1-6H,(H2,14,15,16)
InChIKeyXRUJNWDVBMHGAE-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.13
Rot. Bonds1

About 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine

6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734697) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734697
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2cc3cc(Cl)ccc3o2)ncn1
InChIInChI=1S/C12H8ClN3O/c13-8-1-2-10-7(3-8)4-11(17-10)9-5-12(14)16-6-15-9/h1-6H,(H2,14,15,16)
InChIKeyXRUJNWDVBMHGAE-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734745
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine
CID 114734766
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061944
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
6-(5-chloro-1-benzofuran-2-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114734742
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734697) is 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine is Nc1cc(-c2cc3cc(Cl)ccc3o2)ncn1.
What is the InChIKey of 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is XRUJNWDVBMHGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-1-2-10-7(3-8)4-11(17-10)9-5-12(14)16-6-15-9/h1-6H,(H2,14,15,16).
What are the key properties of 6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine?
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 245.67 g/mol, XLogP of 3.13, 1 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)pyrimidin-4-amine is sourced from PubChem (CID 114734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).