5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine

C16H26BrN3O — CID 116776509

IUPAC5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C2CCCCC2)nc(C)c1Br
InChIInChI=1S/C16H26BrN3O/c1-4-18-15-13(17)11(3)19-16(20-15)14(21-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyWXXKENGQKJISCK-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.64
Rot. Bonds6

About 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine

5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 116776509) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID116776509
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(OCC)C2CCCCC2)nc(C)c1Br
InChIInChI=1S/C16H26BrN3O/c1-4-18-15-13(17)11(3)19-16(20-15)14(21-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyWXXKENGQKJISCK-UHFFFAOYSA-N
XLogP4.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109
5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116776477
5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66307473
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 116776509) is 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1nc(C(OCC)C2CCCCC2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is WXXKENGQKJISCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-4-18-15-13(17)11(3)19-16(20-15)14(21-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116776509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).