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

C16H18ClN3O — CID 80988356

IUPAC6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Cl)cc(C)c1Oc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C16H18ClN3O/c1-8-6-12(17)7-9(2)13(8)21-16-10(3)14(18)19-15(20-16)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyXPRNVKJNALJAKN-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.31
Rot. Bonds3

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

6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80988356) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80988356
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Cl)cc(C)c1Oc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C16H18ClN3O/c1-8-6-12(17)7-9(2)13(8)21-16-10(3)14(18)19-15(20-16)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyXPRNVKJNALJAKN-UHFFFAOYSA-N
XLogP4.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80969541
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80988848
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80988356) is 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1cc(Cl)cc(C)c1Oc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is XPRNVKJNALJAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-8-6-12(17)7-9(2)13(8)21-16-10(3)14(18)19-15(20-16)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).