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

C16H17N3O — CID 114734652

IUPAC6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1cccc2cc(-c3ncnc(N)c3C(C)C)oc12
InChIInChI=1S/C16H17N3O/c1-9(2)13-14(18-8-19-16(13)17)12-7-11-6-4-5-10(3)15(11)20-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyLFPKTLYUJAVXKO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.90
Rot. Bonds2

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

6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 114734652) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID114734652
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1cccc2cc(-c3ncnc(N)c3C(C)C)oc12
InChIInChI=1S/C16H17N3O/c1-9(2)13-14(18-8-19-16(13)17)12-7-11-6-4-5-10(3)15(11)20-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyLFPKTLYUJAVXKO-UHFFFAOYSA-N
XLogP3.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.90
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,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734639
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621
N-methyl-6-(7-methyl-1-benzofuran-2-yl)-5-nitropyrimidin-4-amine
CID 114734671
1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732293
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
CID 114734145
N-methyl-1-[4-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732283
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901

Frequently Asked Questions

What is the IUPAC name of 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine (CID 114734652) is 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine is Cc1cccc2cc(-c3ncnc(N)c3C(C)C)oc12.
What is the InChIKey of 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LFPKTLYUJAVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-9(2)13-14(18-8-19-16(13)17)12-7-11-6-4-5-10(3)15(11)20-12/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114734652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).