4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine

C16H15N3S — CID 104609503

IUPAC4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
SMILESCCc1ccc(-c2ccnc(Nc3ccccc3)n2)s1
InChIInChI=1S/C16H15N3S/c1-2-13-8-9-15(20-13)14-10-11-17-16(19-14)18-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeyJRKRKSRNSNQGMK-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.51
Rot. Bonds4

About 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine

4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine (PubChem CID 104609503) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
PubChem CID104609503
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
SMILESCCc1ccc(-c2ccnc(Nc3ccccc3)n2)s1
InChIInChI=1S/C16H15N3S/c1-2-13-8-9-15(20-13)14-10-11-17-16(19-14)18-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeyJRKRKSRNSNQGMK-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine
CID 123510156
2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid
CID 59468537
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14346981
4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 58974655
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
CID 114206914
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279448

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine (CID 104609503) is 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine is CCc1ccc(-c2ccnc(Nc3ccccc3)n2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is JRKRKSRNSNQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-13-8-9-15(20-13)14-10-11-17-16(19-14)18-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19).
What are the key properties of 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine?
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 104609503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).