5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine

C14H18BrN3S — CID 66297120

IUPAC5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c(Br)c(C(C)(C)C)n2)s1
InChIInChI=1S/C14H18BrN3S/c1-5-8-6-7-9(19-8)13-17-11(14(2,3)4)10(15)12(16)18-13/h6-7H,5H2,1-4H3,(H2,16,17,18)
InChIKeyHSHNUXHWPALYIP-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.41
Rot. Bonds2

About 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 66297120) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
PubChem CID66297120
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c(Br)c(C(C)(C)C)n2)s1
InChIInChI=1S/C14H18BrN3S/c1-5-8-6-7-9(19-8)13-17-11(14(2,3)4)10(15)12(16)18-13/h6-7H,5H2,1-4H3,(H2,16,17,18)
InChIKeyHSHNUXHWPALYIP-UHFFFAOYSA-N
XLogP4.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine (CID 66297120) is 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine is CCc1ccc(-c2nc(N)c(Br)c(C(C)(C)C)n2)s1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is HSHNUXHWPALYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-5-8-6-7-9(19-8)13-17-11(14(2,3)4)10(15)12(16)18-13/h6-7H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 340.29 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66297120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).