5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine

C15H19N3O — CID 80875224

IUPAC5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(C(C)C)cc1Oc1nc(N)ncc1C
InChIInChI=1S/C15H19N3O/c1-9(2)12-6-5-10(3)13(7-12)19-14-11(4)8-17-15(16)18-14/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyMBOFCQOXKNUYAX-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.59
Rot. Bonds3

About 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine

5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 80875224) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID80875224
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(C(C)C)cc1Oc1nc(N)ncc1C
InChIInChI=1S/C15H19N3O/c1-9(2)12-6-5-10(3)13(7-12)19-14-11(4)8-17-15(16)18-14/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyMBOFCQOXKNUYAX-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863693
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
CID 102749594
[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542628
8-(2-methyl-5-propan-2-ylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875088
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
CID 26190303
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine (CID 80875224) is 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine is Cc1ccc(C(C)C)cc1Oc1nc(N)ncc1C.
What is the InChIKey of 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is MBOFCQOXKNUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)12-6-5-10(3)13(7-12)19-14-11(4)8-17-15(16)18-14/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80875224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).