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

C14H15Cl2N3O — CID 80988642

IUPAC6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-7(2)13-18-12(17)8(3)14(19-13)20-11-5-9(15)4-10(16)6-11/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRVOQUMHDXKHSPI-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.59
Rot. Bonds3

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

6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80988642) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80988642
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-7(2)13-18-12(17)8(3)14(19-13)20-11-5-9(15)4-10(16)6-11/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRVOQUMHDXKHSPI-UHFFFAOYSA-N
XLogP4.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988180
6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81346478
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 80991169
[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001302
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001190
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
6-(5-chloro-1-benzofuran-2-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114734742
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80864323

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80988642) is 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RVOQUMHDXKHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-7(2)13-18-12(17)8(3)14(19-13)20-11-5-9(15)4-10(16)6-11/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80988642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).