N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine

C16H17N3O — CID 114734672

IUPACN-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C16H17N3O/c1-4-17-16-11(3)14(18-9-19-16)13-8-12-7-5-6-10(2)15(12)20-13/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyJRYIIFREXKSIKN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.94
Rot. Bonds3

About N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine

N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734672) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734672
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C16H17N3O/c1-4-17-16-11(3)14(18-9-19-16)13-8-12-7-5-6-10(2)15(12)20-13/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyJRYIIFREXKSIKN-UHFFFAOYSA-N
XLogP3.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734639
N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
N-methyl-6-(7-methyl-1-benzofuran-2-yl)-5-nitropyrimidin-4-amine
CID 114734671
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734601
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 114607000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734672) is N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is CCNc1ncnc(-c2cc3cccc(C)c3o2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is JRYIIFREXKSIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-17-16-11(3)14(18-9-19-16)13-8-12-7-5-6-10(2)15(12)20-13/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).