2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine

C17H17N3S — CID 104846937

IUPAC2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c(C)c(-c3ccccc3)n2)s1
InChIInChI=1S/C17H17N3S/c1-3-13-9-10-14(21-13)17-19-15(11(2)16(18)20-17)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyHZXIIZULPVDZTH-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.33
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine

2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine (PubChem CID 104846937) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine
PubChem CID104846937
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c(C)c(-c3ccccc3)n2)s1
InChIInChI=1S/C17H17N3S/c1-3-13-9-10-14(21-13)17-19-15(11(2)16(18)20-17)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyHZXIIZULPVDZTH-UHFFFAOYSA-N
XLogP4.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-phenylpyrimidine
CID 66313590
5-methyl-2-(2-methylphenyl)-6-phenylpyrimidin-4-amine
CID 104846734
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
5-methyl-2-(5-methylpyrimidin-2-yl)-6-phenylpyrimidin-4-amine
CID 104846665
5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine
CID 104846927
5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66200911
2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
2-N,2-N-diethyl-5-methyl-6-phenylpyrimidine-2,4-diamine
CID 104846737
6-cyclopropyl-2-(5-ethylthiophen-2-yl)-5-iodopyrimidin-4-amine
CID 66314146
2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66302604
4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
CID 63613023

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine (CID 104846937) is 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine is CCc1ccc(-c2nc(N)c(C)c(-c3ccccc3)n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is HZXIIZULPVDZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-13-9-10-14(21-13)17-19-15(11(2)16(18)20-17)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine?
2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-5-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).