4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine

C16H20ClN3O — CID 80875373

IUPAC4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2ccc(Cl)c(CC)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-8-18-16-19-10-11(3)15(20-16)21-13-6-7-14(17)12(5-2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyOXAXTXIKIVMNCS-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.62
Rot. Bonds6

About 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine

4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80875373) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80875373
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2ccc(Cl)c(CC)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-8-18-16-19-10-11(3)15(20-16)21-13-6-7-14(17)12(5-2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyOXAXTXIKIVMNCS-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine (CID 80875373) is 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Oc2ccc(Cl)c(CC)c2)n1.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is OXAXTXIKIVMNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-8-18-16-19-10-11(3)15(20-16)21-13-6-7-14(17)12(5-2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80875373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).