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

C15H18ClN3O2 — CID 80865166

IUPAC5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-9-17-15-18-10-13(16)14(19-15)21-12-7-5-11(6-8-12)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyLWGKNXLTOZJIAT-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.14
Rot. Bonds7

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

5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80865166) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
PubChem CID80865166
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Oc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-9-17-15-18-10-13(16)14(19-15)21-12-7-5-11(6-8-12)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyLWGKNXLTOZJIAT-UHFFFAOYSA-N
XLogP4.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
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
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
[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
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
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
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
CID 80846532
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine (CID 80865166) is 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Oc2ccc(OCC)cc2)n1.
What is the InChIKey of 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is LWGKNXLTOZJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-9-17-15-18-10-13(16)14(19-15)21-12-7-5-11(6-8-12)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine?
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 307.78 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80865166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).