2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

C13H15BrClN3S — CID 102843763

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Cl)s2)nc(C)c1CC
InChIInChI=1S/C13H15BrClN3S/c1-4-8-7(3)17-13(18-12(8)16-5-2)10-6-9(14)11(15)19-10/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyOFVWQOZFHULRPG-UHFFFAOYSA-N
MW360.71 g/mol
LogP4.92
Rot. Bonds4

About 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 102843763) has the molecular formula C13H15BrClN3S and a molecular weight of 360.71 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID102843763
Molecular FormulaC13H15BrClN3S
Molecular Weight360.71 g/mol
Exact Mass358.99
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Cl)s2)nc(C)c1CC
InChIInChI=1S/C13H15BrClN3S/c1-4-8-7(3)17-13(18-12(8)16-5-2)10-6-9(14)11(15)19-10/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyOFVWQOZFHULRPG-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 102843967
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 107125278
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 106889181
[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 62252598
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 102842540
5-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843991
2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 63485446

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 102843763) is 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(Cl)s2)nc(C)c1CC.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is OFVWQOZFHULRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3S/c1-4-8-7(3)17-13(18-12(8)16-5-2)10-6-9(14)11(15)19-10/h6H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 360.71 g/mol, XLogP of 4.92, 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-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 102843763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).