2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine

C16H19N3O — CID 80989231

IUPAC2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCCc1ccc(Oc2nc(C3CC3)nc(N)c2C)cc1
InChIInChI=1S/C16H19N3O/c1-3-11-4-8-13(9-5-11)20-16-10(2)14(17)18-15(19-16)12-6-7-12/h4-5,8-9,12H,3,6-7H2,1-2H3,(H2,17,18,19)
InChIKeyFKXNVUBHCFPLSO-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.60
Rot. Bonds4

About 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80989231) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80989231
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCCc1ccc(Oc2nc(C3CC3)nc(N)c2C)cc1
InChIInChI=1S/C16H19N3O/c1-3-11-4-8-13(9-5-11)20-16-10(2)14(17)18-15(19-16)12-6-7-12/h4-5,8-9,12H,3,6-7H2,1-2H3,(H2,17,18,19)
InChIKeyFKXNVUBHCFPLSO-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
[4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000306
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80988848
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine (CID 80989231) is 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine is CCc1ccc(Oc2nc(C3CC3)nc(N)c2C)cc1.
What is the InChIKey of 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is FKXNVUBHCFPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11-4-8-13(9-5-11)20-16-10(2)14(17)18-15(19-16)12-6-7-12/h4-5,8-9,12H,3,6-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).