6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

C17H15BrN4O2 — CID 19149185

IUPAC6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)cc1
InChIInChI=1S/C17H15BrN4O2/c1-23-13-8-4-12(5-9-13)22-16-15(19)17(21-10-20-16)24-14-6-2-11(18)3-7-14/h2-10H,19H2,1H3,(H,20,21,22)
InChIKeyBMFZSNUMQUHUJK-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.37
Rot. Bonds5

About 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19149185) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19149185
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)cc1
InChIInChI=1S/C17H15BrN4O2/c1-23-13-8-4-12(5-9-13)22-16-15(19)17(21-10-20-16)24-14-6-2-11(18)3-7-14/h2-10H,19H2,1H3,(H,20,21,22)
InChIKeyBMFZSNUMQUHUJK-UHFFFAOYSA-N
XLogP4.37
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142658
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541455
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19146563
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19147057
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine (CID 19149185) is 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)cc1.
What is the InChIKey of 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is BMFZSNUMQUHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-23-13-8-4-12(5-9-13)22-16-15(19)17(21-10-20-16)24-14-6-2-11(18)3-7-14/h2-10H,19H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 387.24 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19149185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).