6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine

C13H14BrClN4O — CID 80881844

IUPAC6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2ccc(Br)cc2Cl)nc(N)n1
InChIInChI=1S/C13H14BrClN4O/c1-2-5-17-11-7-12(19-13(16)18-11)20-10-4-3-8(14)6-9(10)15/h3-4,6-7H,2,5H2,1H3,(H3,16,17,18,19)
InChIKeyNSJFMVRRMRIPIP-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.09
Rot. Bonds5

About 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine

6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80881844) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80881844
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC Name6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2ccc(Br)cc2Cl)nc(N)n1
InChIInChI=1S/C13H14BrClN4O/c1-2-5-17-11-7-12(19-13(16)18-11)20-10-4-3-8(14)6-9(10)15/h3-4,6-7H,2,5H2,1H3,(H3,16,17,18,19)
InChIKeyNSJFMVRRMRIPIP-UHFFFAOYSA-N
XLogP4.09
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine (CID 80881844) is 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(Oc2ccc(Br)cc2Cl)nc(N)n1.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is NSJFMVRRMRIPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-2-5-17-11-7-12(19-13(16)18-11)20-10-4-3-8(14)6-9(10)15/h3-4,6-7H,2,5H2,1H3,(H3,16,17,18,19).
What are the key properties of 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 357.64 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80881844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).