4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine

C14H15BrClN3O — CID 80860694

IUPAC4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-6-17-14-18-8-11(16)13(19-14)20-12-5-4-9(2)7-10(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyMVAQMTZWCFWDSD-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.82
Rot. Bonds5

About 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine

4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine (PubChem CID 80860694) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
PubChem CID80860694
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-6-17-14-18-8-11(16)13(19-14)20-12-5-4-9(2)7-10(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyMVAQMTZWCFWDSD-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
4-N-(2-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 82758297
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
CID 80846532

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine (CID 80860694) is 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Oc2ccc(C)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine?
The InChIKey is MVAQMTZWCFWDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-3-6-17-14-18-8-11(16)13(19-14)20-12-5-4-9(2)7-10(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine?
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine has a molecular weight of 356.65 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80860694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).