4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine

C15H18ClN3O — CID 80865774

IUPAC4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-7-17-15-18-11(3)9-14(19-15)20-12-5-6-13(16)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyHDGBZULBOMSZDZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.36
Rot. Bonds5

About 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine

4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80865774) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80865774
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-7-17-15-18-11(3)9-14(19-15)20-12-5-6-13(16)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyHDGBZULBOMSZDZ-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
CID 80882608

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine (CID 80865774) is 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2ccc(Cl)c(C)c2)n1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is HDGBZULBOMSZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-7-17-15-18-11(3)9-14(19-15)20-12-5-6-13(16)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80865774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).