5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine

C18H22BrN3O2 — CID 58515260

IUPAC5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine
SMILESCOc1cccc(Oc2nc(NC3CCC(C)CC3)ncc2Br)c1
InChIInChI=1S/C18H22BrN3O2/c1-12-6-8-13(9-7-12)21-18-20-11-16(19)17(22-18)24-15-5-3-4-14(10-15)23-2/h3-5,10-13H,6-9H2,1-2H3,(H,20,21,22)
InChIKeyUOAHMISENNYOJT-UHFFFAOYSA-N
MW392.30 g/mol
LogP5.03
Rot. Bonds5

About 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine

5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine (PubChem CID 58515260) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine
PubChem CID58515260
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine
SMILESCOc1cccc(Oc2nc(NC3CCC(C)CC3)ncc2Br)c1
InChIInChI=1S/C18H22BrN3O2/c1-12-6-8-13(9-7-12)21-18-20-11-16(19)17(22-18)24-15-5-3-4-14(10-15)23-2/h3-5,10-13H,6-9H2,1-2H3,(H,20,21,22)
InChIKeyUOAHMISENNYOJT-UHFFFAOYSA-N
XLogP5.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 46240185
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709115
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
1-N-(5-bromo-4-methoxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 106998056
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
2-[4-[4-methoxy-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile
CID 66995786
4-[5-bromo-2-[[1-(3-cyanophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 24958408
N-cyclopropyl-8-methoxy-5H-indeno[1,2-d]pyrimidin-2-amine
CID 79367720
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
5-bromo-N-cyclopropylquinazolin-2-amine
CID 165498561

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine (CID 58515260) is 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine is COc1cccc(Oc2nc(NC3CCC(C)CC3)ncc2Br)c1.
What is the InChIKey of 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The InChIKey is UOAHMISENNYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-12-6-8-13(9-7-12)21-18-20-11-16(19)17(22-18)24-15-5-3-4-14(10-15)23-2/h3-5,10-13H,6-9H2,1-2H3,(H,20,21,22).
What are the key properties of 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine?
5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine has a molecular weight of 392.30 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methoxyphenoxy)-N-(4-methylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 58515260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).