4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine

C15H18ClN3O — CID 107669596

IUPAC4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
SMILESCCC(C)c1ccc(Oc2nc(NC)ncc2Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-4-10(2)11-5-7-12(8-6-11)20-14-13(16)9-18-15(17-3)19-14/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyCQHXIBUUVLDUAC-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.48
Rot. Bonds5

About 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine

4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine (PubChem CID 107669596) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
PubChem CID107669596
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
SMILESCCC(C)c1ccc(Oc2nc(NC)ncc2Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-4-10(2)11-5-7-12(8-6-11)20-14-13(16)9-18-15(17-3)19-14/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyCQHXIBUUVLDUAC-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
5-chloro-N-methyl-4-(4-methylsulfanylphenoxy)pyrimidin-2-amine
CID 80880698
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
CID 172765369
5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
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
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine (CID 107669596) is 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine is CCC(C)c1ccc(Oc2nc(NC)ncc2Cl)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The InChIKey is CQHXIBUUVLDUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-10(2)11-5-7-12(8-6-11)20-14-13(16)9-18-15(17-3)19-14/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 107669596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).