6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine

C12H14BrN3S — CID 106014088

IUPAC6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1ccc(CNc2cc(Br)nc(C)n2)s1
InChIInChI=1S/C12H14BrN3S/c1-3-9-4-5-10(17-9)7-14-12-6-11(13)15-8(2)16-12/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyGOPFUQTYLRNJSA-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.78
Rot. Bonds4

About 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine

6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 106014088) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID106014088
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1ccc(CNc2cc(Br)nc(C)n2)s1
InChIInChI=1S/C12H14BrN3S/c1-3-9-4-5-10(17-9)7-14-12-6-11(13)15-8(2)16-12/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyGOPFUQTYLRNJSA-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-tert-butyl-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 106014151
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
6-N-[(5-ethylthiophen-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 106015252
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81260087
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
CID 104877579
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
4-N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967416
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine (CID 106014088) is 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine is CCc1ccc(CNc2cc(Br)nc(C)n2)s1.
What is the InChIKey of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is GOPFUQTYLRNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-3-9-4-5-10(17-9)7-14-12-6-11(13)15-8(2)16-12/h4-6H,3,7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine?
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 312.24 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106014088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).