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

C16H20BrN3S — CID 102844138

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CCCC2)nc(-c2cc(Br)c(C)s2)n1
InChIInChI=1S/C16H20BrN3S/c1-3-18-15-9-13(11-6-4-5-7-11)19-16(20-15)14-8-12(17)10(2)21-14/h8-9,11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyPRITURIVVBIYOT-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.37
Rot. Bonds4

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

2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine (PubChem CID 102844138) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine
PubChem CID102844138
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CCCC2)nc(-c2cc(Br)c(C)s2)n1
InChIInChI=1S/C16H20BrN3S/c1-3-18-15-9-13(11-6-4-5-7-11)19-16(20-15)14-8-12(17)10(2)21-14/h8-9,11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyPRITURIVVBIYOT-UHFFFAOYSA-N
XLogP5.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 102843899
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 113390479
6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557493
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63354598
6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 63354393
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
6-cyclopentyl-N-ethyl-2-(1-methoxycyclopentyl)pyrimidin-4-amine
CID 104611787
2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 102843798

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine (CID 102844138) is 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine is CCNc1cc(C2CCCC2)nc(-c2cc(Br)c(C)s2)n1.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine?
The InChIKey is PRITURIVVBIYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-3-18-15-9-13(11-6-4-5-7-11)19-16(20-15)14-8-12(17)10(2)21-14/h8-9,11H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine?
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine has a molecular weight of 366.33 g/mol, XLogP of 5.37, 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-cyclopentyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 102844138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).