4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine

C13H15ClN4O — CID 172765369

IUPAC4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1
InChIInChI=1S/C13H15ClN4O/c1-8(2)17-13-16-7-11(14)12(18-13)19-10-5-3-9(15)4-6-10/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyMFWDOFUDDHSWQX-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.32
Rot. Bonds4

About 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine

4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine (PubChem CID 172765369) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
PubChem CID172765369
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1
InChIInChI=1S/C13H15ClN4O/c1-8(2)17-13-16-7-11(14)12(18-13)19-10-5-3-9(15)4-6-10/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyMFWDOFUDDHSWQX-UHFFFAOYSA-N
XLogP3.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
5-chloro-N-methyl-4-(4-methylsulfanylphenoxy)pyrimidin-2-amine
CID 80880698
4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine
CID 159429893
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine (CID 172765369) is 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1.
What is the InChIKey of 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is MFWDOFUDDHSWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(2)17-13-16-7-11(14)12(18-13)19-10-5-3-9(15)4-6-10/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine?
4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 172765369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).