4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine

C15H18ClN3O — CID 80880647

IUPAC4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C15H18ClN3O/c1-4-7-17-15-18-9-11(3)14(19-15)20-13-6-5-10(2)8-12(13)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyUOUZCZQETVBZOI-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.36
Rot. Bonds5

About 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine

4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80880647) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80880647
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C15H18ClN3O/c1-4-7-17-15-18-9-11(3)14(19-15)20-13-6-5-10(2)8-12(13)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyUOUZCZQETVBZOI-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-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine (CID 80880647) is 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Oc2ccc(C)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is UOUZCZQETVBZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-7-17-15-18-9-11(3)14(19-15)20-13-6-5-10(2)8-12(13)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
4-(2-chloro-4-methylphenoxy)-5-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-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80880647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).