2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine

C16H19N3O — CID 80988869

IUPAC2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2nc(C3CC3)nc(N)c2C)c1
InChIInChI=1S/C16H19N3O/c1-9-4-5-10(2)13(8-9)20-16-11(3)14(17)18-15(19-16)12-6-7-12/h4-5,8,12H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeySOJHKSRAKSRVMH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.65
Rot. Bonds3

About 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80988869) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80988869
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2nc(C3CC3)nc(N)c2C)c1
InChIInChI=1S/C16H19N3O/c1-9-4-5-10(2)13(8-9)20-16-11(3)14(17)18-15(19-16)12-6-7-12/h4-5,8,12H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeySOJHKSRAKSRVMH-UHFFFAOYSA-N
XLogP3.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
2-cyclopropyl-6-methylquinazolin-4-amine
CID 103691727
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80988848
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine (CID 80988869) is 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine is Cc1ccc(C)c(Oc2nc(C3CC3)nc(N)c2C)c1.
What is the InChIKey of 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is SOJHKSRAKSRVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-4-5-10(2)13(8-9)20-16-11(3)14(17)18-15(19-16)12-6-7-12/h4-5,8,12H,6-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).