6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine

C14H15Cl2N3O — CID 80875888

IUPAC6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1C(C)C
InChIInChI=1S/C14H15Cl2N3O/c1-8(2)12-13(17-3)18-7-19-14(12)20-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyGXMJUNRWARBWGC-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.74
Rot. Bonds4

About 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80875888) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80875888
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1C(C)C
InChIInChI=1S/C14H15Cl2N3O/c1-8(2)12-13(17-3)18-7-19-14(12)20-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyGXMJUNRWARBWGC-UHFFFAOYSA-N
XLogP4.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80875888) is 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1C(C)C.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GXMJUNRWARBWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8(2)12-13(17-3)18-7-19-14(12)20-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80875888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).