6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine

C13H13Cl2N3O — CID 80950356

IUPAC6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-2-3-12-17-11(16)7-13(18-12)19-10-5-4-8(14)6-9(10)15/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyNXLVFBRWVHJNFA-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.11
Rot. Bonds4

About 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine

6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine (PubChem CID 80950356) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
PubChem CID80950356
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3O/c1-2-3-12-17-11(16)7-13(18-12)19-10-5-4-8(14)6-9(10)15/h4-7H,2-3H2,1H3,(H2,16,17,18)
InChIKeyNXLVFBRWVHJNFA-UHFFFAOYSA-N
XLogP4.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
6-(2,4-dichlorophenoxy)-5-octyl-2-propylpyrimidin-4-amine
CID 154112431
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine (CID 80950356) is 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine?
The InChIKey is NXLVFBRWVHJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-2-3-12-17-11(16)7-13(18-12)19-10-5-4-8(14)6-9(10)15/h4-7H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine?
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).