4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine

C15H18ClN3O — CID 80875257

IUPAC4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1nc(N)ncc1C
InChIInChI=1S/C15H18ClN3O/c1-8(2)11-6-13(9(3)5-12(11)16)20-14-10(4)7-18-15(17)19-14/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyNJTFUSURRKECOU-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.24
Rot. Bonds3

About 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine

4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine (PubChem CID 80875257) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
PubChem CID80875257
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1nc(N)ncc1C
InChIInChI=1S/C15H18ClN3O/c1-8(2)11-6-13(9(3)5-12(11)16)20-14-10(4)7-18-15(17)19-14/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyNJTFUSURRKECOU-UHFFFAOYSA-N
XLogP4.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine (CID 80875257) is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine is Cc1cc(Cl)c(C(C)C)cc1Oc1nc(N)ncc1C.
What is the InChIKey of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine?
The InChIKey is NJTFUSURRKECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-8(2)11-6-13(9(3)5-12(11)16)20-14-10(4)7-18-15(17)19-14/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine?
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80875257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).