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

C14H16ClN3O — CID 80863154

IUPAC5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2ccc(C)cc2)n1
InChIInChI=1S/C14H16ClN3O/c1-3-8-16-14-17-9-12(15)13(18-14)19-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyWOQVCJUQMHGVHJ-UHFFFAOYSA-N
MW277.76 g/mol
LogP4.05
Rot. Bonds5

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

5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80863154) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
PubChem CID80863154
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2ccc(C)cc2)n1
InChIInChI=1S/C14H16ClN3O/c1-3-8-16-14-17-9-12(15)13(18-14)19-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyWOQVCJUQMHGVHJ-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
5-chloro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877691

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine (CID 80863154) is 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Oc2ccc(C)cc2)n1.
What is the InChIKey of 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is WOQVCJUQMHGVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-8-16-14-17-9-12(15)13(18-14)19-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine?
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80863154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).