6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine

C16H20BrN3 — CID 106193537

IUPAC6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2cc(Br)nc(CC)n2)cc1
InChIInChI=1S/C16H20BrN3/c1-4-12-6-8-13(9-7-12)11(3)18-16-10-14(17)19-15(5-2)20-16/h6-11H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyQVTBPSQSQUAWPX-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.54
Rot. Bonds5

About 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine

6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 106193537) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
PubChem CID106193537
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2cc(Br)nc(CC)n2)cc1
InChIInChI=1S/C16H20BrN3/c1-4-12-6-8-13(9-7-12)11(3)18-16-10-14(17)19-15(5-2)20-16/h6-11H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyQVTBPSQSQUAWPX-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(6-bromo-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192818
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 104963516
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine (CID 106193537) is 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine is CCc1ccc(C(C)Nc2cc(Br)nc(CC)n2)cc1.
What is the InChIKey of 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is QVTBPSQSQUAWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-12-6-8-13(9-7-12)11(3)18-16-10-14(17)19-15(5-2)20-16/h6-11H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106193537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).