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

C16H17N3O — CID 114734574

IUPACN-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc3cc(C)ccc3o2)c1C
InChIInChI=1S/C16H17N3O/c1-4-17-16-11(3)15(18-9-19-16)14-8-12-7-10(2)5-6-13(12)20-14/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyHGBAQGHEGMJSDO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.94
Rot. Bonds3

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

N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734574) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734574
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc3cc(C)ccc3o2)c1C
InChIInChI=1S/C16H17N3O/c1-4-17-16-11(3)15(18-9-19-16)14-8-12-7-10(2)5-6-13(12)20-14/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyHGBAQGHEGMJSDO-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-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734511
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
N-ethyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181548
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734574) is N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is CCNc1ncnc(-c2cc3cc(C)ccc3o2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is HGBAQGHEGMJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-17-16-11(3)15(18-9-19-16)14-8-12-7-10(2)5-6-13(12)20-14/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(5-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-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).