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

C18H17BrN4O2 — CID 19142658

IUPAC6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2ncnc(Oc3ccc(Br)cc3)c2N)cc1
InChIInChI=1S/C18H17BrN4O2/c1-24-14-6-2-12(3-7-14)10-21-17-16(20)18(23-11-22-17)25-15-8-4-13(19)5-9-15/h2-9,11H,10,20H2,1H3,(H,21,22,23)
InChIKeyWFHKQEDZORTDSV-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.23
Rot. Bonds6

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

6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine (PubChem CID 19142658) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
PubChem CID19142658
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2ncnc(Oc3ccc(Br)cc3)c2N)cc1
InChIInChI=1S/C18H17BrN4O2/c1-24-14-6-2-12(3-7-14)10-21-17-16(20)18(23-11-22-17)25-15-8-4-13(19)5-9-15/h2-9,11H,10,20H2,1H3,(H,21,22,23)
InChIKeyWFHKQEDZORTDSV-UHFFFAOYSA-N
XLogP4.23
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
CID 19142606
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine
CID 22542682
4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19134955
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19154133
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
6-(furan-2-yl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 46906950

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine (CID 19142658) is 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine is COc1ccc(CNc2ncnc(Oc3ccc(Br)cc3)c2N)cc1.
What is the InChIKey of 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is WFHKQEDZORTDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-24-14-6-2-12(3-7-14)10-21-17-16(20)18(23-11-22-17)25-15-8-4-13(19)5-9-15/h2-9,11H,10,20H2,1H3,(H,21,22,23).
What are the key properties of 6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 401.26 g/mol, XLogP of 4.23, 6 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)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19142658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).