6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine

C18H17BrN4O3 — CID 19142963

IUPAC6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)c(OC)c1
InChIInChI=1S/C18H17BrN4O3/c1-24-13-7-8-14(15(9-13)25-2)23-17-16(20)18(22-10-21-17)26-12-5-3-11(19)4-6-12/h3-10H,20H2,1-2H3,(H,21,22,23)
InChIKeyNFFBAYIFZNTGAL-UHFFFAOYSA-N
MW417.26 g/mol
LogP4.37
Rot. Bonds6

About 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine

6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19142963) has the molecular formula C18H17BrN4O3 and a molecular weight of 417.26 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19142963
Molecular FormulaC18H17BrN4O3
Molecular Weight417.26 g/mol
Exact Mass416.05
IUPAC Name6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)c(OC)c1
InChIInChI=1S/C18H17BrN4O3/c1-24-13-7-8-14(15(9-13)25-2)23-17-16(20)18(22-10-21-17)26-12-5-3-11(19)4-6-12/h3-10H,20H2,1-2H3,(H,21,22,23)
InChIKeyNFFBAYIFZNTGAL-UHFFFAOYSA-N
XLogP4.37
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-(4-bromophenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547356
6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142658
6-(4-bromophenoxy)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19147998
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541998
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine (CID 19142963) is 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)c(OC)c1.
What is the InChIKey of 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is NFFBAYIFZNTGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3/c1-24-13-7-8-14(15(9-13)25-2)23-17-16(20)18(22-10-21-17)26-12-5-3-11(19)4-6-12/h3-10H,20H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 417.26 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19142963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).