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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Related Compounds

6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806201
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582
6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217

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).