4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine

C13H13Cl2N3O — CID 80874616

IUPAC4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3O/c1-3-16-13-17-8(2)4-12(18-13)19-11-6-9(14)5-10(15)7-11/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyKHJOFLDYHHZZFI-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.32
Rot. Bonds4

About 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine

4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 80874616) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID80874616
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3O/c1-3-16-13-17-8(2)4-12(18-13)19-11-6-9(14)5-10(15)7-11/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyKHJOFLDYHHZZFI-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
CID 80863077
N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881926
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine (CID 80874616) is 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(Oc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is KHJOFLDYHHZZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-3-16-13-17-8(2)4-12(18-13)19-11-6-9(14)5-10(15)7-11/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 298.17 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80874616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).