6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine

C12H10BrCl2N3O2 — CID 107662690

IUPAC6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C12H10BrCl2N3O2/c1-19-5-11-17-10(16)4-12(18-11)20-9-3-7(14)6(13)2-8(9)15/h2-4H,5H2,1H3,(H2,16,17,18)
InChIKeyAKTLKBTYPFYHHK-UHFFFAOYSA-N
MW379.04 g/mol
LogP4.07
Rot. Bonds4

About 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine

6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 107662690) has the molecular formula C12H10BrCl2N3O2 and a molecular weight of 379.04 g/mol. Its IUPAC name is 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID107662690
Molecular FormulaC12H10BrCl2N3O2
Molecular Weight379.04 g/mol
Exact Mass376.93
IUPAC Name6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C12H10BrCl2N3O2/c1-19-5-11-17-10(16)4-12(18-11)20-9-3-7(14)6(13)2-8(9)15/h2-4H,5H2,1H3,(H2,16,17,18)
InChIKeyAKTLKBTYPFYHHK-UHFFFAOYSA-N
XLogP4.07
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.04
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
CID 107657822
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80862541
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
4-(4-bromo-2,5-dichlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 107662596
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
4-N-(4-bromo-2,3-dichlorophenyl)-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 107794910

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine (CID 107662690) is 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(N)cc(Oc2cc(Cl)c(Br)cc2Cl)n1.
What is the InChIKey of 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is AKTLKBTYPFYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2/c1-19-5-11-17-10(16)4-12(18-11)20-9-3-7(14)6(13)2-8(9)15/h2-4H,5H2,1H3,(H2,16,17,18).
What are the key properties of 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine?
6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 379.04 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 107662690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).