4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine

C17H14BrN3O — CID 75359610

IUPAC4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1
InChIInChI=1S/C17H14BrN3O/c1-22-14-7-5-11(6-8-14)15-10-16(21-17(19)20-15)12-3-2-4-13(18)9-12/h2-10H,1H3,(H2,19,20,21)
InChIKeySDDWAABFAQWPKP-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine

4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 75359610) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID75359610
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1
InChIInChI=1S/C17H14BrN3O/c1-22-14-7-5-11(6-8-14)15-10-16(21-17(19)20-15)12-3-2-4-13(18)9-12/h2-10H,1H3,(H2,19,20,21)
InChIKeySDDWAABFAQWPKP-UHFFFAOYSA-N
XLogP4.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 71493670
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211
2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
CID 59342158
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359612
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine (CID 75359610) is 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is SDDWAABFAQWPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-22-14-7-5-11(6-8-14)15-10-16(21-17(19)20-15)12-3-2-4-13(18)9-12/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 356.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75359610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).