6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine

C14H15BrClN3O — CID 80991140

IUPAC6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyKJYDRTOUQNBFCP-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.53
Rot. Bonds4

About 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine

6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80991140) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80991140
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C14H15BrClN3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyKJYDRTOUQNBFCP-UHFFFAOYSA-N
XLogP4.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988993
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988630
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80991140) is 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is KJYDRTOUQNBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80991140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).