5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine

C16H20BrN3O — CID 66297312

IUPAC5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cccc(-c2nc(N)c(Br)c(C(C)(C)C)n2)c1
InChIInChI=1S/C16H20BrN3O/c1-16(2,3)13-12(17)14(18)20-15(19-13)11-7-5-6-10(8-11)9-21-4/h5-8H,9H2,1-4H3,(H2,18,19,20)
InChIKeyWYHJNYSKYARKPE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.93
Rot. Bonds3

About 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine

5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine (PubChem CID 66297312) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
PubChem CID66297312
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cccc(-c2nc(N)c(Br)c(C(C)(C)C)n2)c1
InChIInChI=1S/C16H20BrN3O/c1-16(2,3)13-12(17)14(18)20-15(19-13)11-7-5-6-10(8-11)9-21-4/h5-8H,9H2,1-4H3,(H2,18,19,20)
InChIKeyWYHJNYSKYARKPE-UHFFFAOYSA-N
XLogP3.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66298090
5-bromo-6-tert-butyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66307405
5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66297263
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine
CID 107504344
5-bromo-2-[3-(methoxymethyl)phenyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66296011
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
5-bromo-6-tert-butyl-2-(furan-3-yl)pyrimidin-4-amine
CID 66307204
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine (CID 66297312) is 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine is COCc1cccc(-c2nc(N)c(Br)c(C(C)(C)C)n2)c1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The InChIKey is WYHJNYSKYARKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-16(2,3)13-12(17)14(18)20-15(19-13)11-7-5-6-10(8-11)9-21-4/h5-8H,9H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66297312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).