5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C14H22BrN3O — CID 116776477

IUPAC5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C2CCCCC2)nc(C)c1Br
InChIInChI=1S/C14H22BrN3O/c1-9-11(15)13(16-2)18-14(17-9)12(19-3)10-7-5-4-6-8-10/h10,12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyPHSFAFCBOLJBAP-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.86
Rot. Bonds4

About 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine

5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 116776477) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID116776477
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C2CCCCC2)nc(C)c1Br
InChIInChI=1S/C14H22BrN3O/c1-9-11(15)13(16-2)18-14(17-9)12(19-3)10-7-5-4-6-8-10/h10,12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyPHSFAFCBOLJBAP-UHFFFAOYSA-N
XLogP3.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116729350
5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729630
2-[cyclohexyl(methoxy)methyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 116776346
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109
5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559
5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633220
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
4-chloro-2-[cyclohexyl(methoxy)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 116740150
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 116776477) is 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1nc(C(OC)C2CCCCC2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is PHSFAFCBOLJBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-9-11(15)13(16-2)18-14(17-9)12(19-3)10-7-5-4-6-8-10/h10,12H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 328.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116776477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).