2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

C14H16BrN3S — CID 102843899

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cc(Br)c(C)s2)n1
InChIInChI=1S/C14H16BrN3S/c1-3-16-13-7-11(9-4-5-9)17-14(18-13)12-6-10(15)8(2)19-12/h6-7,9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyWZYBZEFXIFMIGJ-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.59
Rot. Bonds4

About 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 102843899) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID102843899
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cc(Br)c(C)s2)n1
InChIInChI=1S/C14H16BrN3S/c1-3-16-13-7-11(9-4-5-9)17-14(18-13)12-6-10(15)8(2)19-12/h6-7,9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyWZYBZEFXIFMIGJ-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine
CID 102844138
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63354598
6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 63354393
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
6-cyclopropyl-N-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 63354437
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 63354644
6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 63354262
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354503
6-cyclopropyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557347

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (CID 102843899) is 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2cc(Br)c(C)s2)n1.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is WZYBZEFXIFMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-3-16-13-7-11(9-4-5-9)17-14(18-13)12-6-10(15)8(2)19-12/h6-7,9H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 338.27 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 102843899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).