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

C11H11BrClN3S — CID 79427772

IUPAC5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br
InChIInChI=1S/C11H11BrClN3S/c1-3-7-9(12)11(14-2)16-10(15-7)8-4-6(13)5-17-8/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyWRWHTZPWPNFGDS-UHFFFAOYSA-N
MW332.65 g/mol
LogP4.23
Rot. Bonds3

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

5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 79427772) has the molecular formula C11H11BrClN3S and a molecular weight of 332.65 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID79427772
Molecular FormulaC11H11BrClN3S
Molecular Weight332.65 g/mol
Exact Mass330.95
IUPAC Name5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br
InChIInChI=1S/C11H11BrClN3S/c1-3-7-9(12)11(14-2)16-10(15-7)8-4-6(13)5-17-8/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyWRWHTZPWPNFGDS-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 107125354
2-(4-chlorothiophen-2-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 79422021
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
2-(4-bromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63559863
4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
CID 79428080
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751
5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295402
5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66296525
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine (CID 79427772) is 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is WRWHTZPWPNFGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3S/c1-3-7-9(12)11(14-2)16-10(15-7)8-4-6(13)5-17-8/h4-5H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 332.65 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79427772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).