5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine

C17H19N3O — CID 114734621

IUPAC5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2cc3cccc(C)c3o2)n1
InChIInChI=1S/C17H19N3O/c1-4-6-14-19-15(11(3)17(18)20-14)13-9-12-8-5-7-10(2)16(12)21-13/h5,7-9H,4,6H2,1-3H3,(H2,18,19,20)
InChIKeyWXKWZHSKPIGAKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.04
Rot. Bonds3

About 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine

5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 114734621) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
PubChem CID114734621
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2cc3cccc(C)c3o2)n1
InChIInChI=1S/C17H19N3O/c1-4-6-14-19-15(11(3)17(18)20-14)13-9-12-8-5-7-10(2)16(12)21-13/h5,7-9H,4,6H2,1-3H3,(H2,18,19,20)
InChIKeyWXKWZHSKPIGAKX-UHFFFAOYSA-N
XLogP4.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897
6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114734652
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055
5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341932
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 114523269
6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 114747241
6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977843

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine (CID 114734621) is 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2cc3cccc(C)c3o2)n1.
What is the InChIKey of 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is WXKWZHSKPIGAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-6-14-19-15(11(3)17(18)20-14)13-9-12-8-5-7-10(2)16(12)21-13/h5,7-9H,4,6H2,1-3H3,(H2,18,19,20).
What are the key properties of 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114734621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).