6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C16H18ClN3O — CID 80965650

IUPAC6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)ccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H18ClN3O/c1-3-18-14-9-15(20-16(19-14)11-5-6-11)21-13-8-10(2)4-7-12(13)17/h4,7-9,11H,3,5-6H2,1-2H3,(H,18,19,20)
InChIKeyURFIXEFSVNPXHS-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.54
Rot. Bonds5

About 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80965650) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80965650
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)ccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H18ClN3O/c1-3-18-14-9-15(20-16(19-14)11-5-6-11)21-13-8-10(2)4-7-12(13)17/h4,7-9,11H,3,5-6H2,1-2H3,(H,18,19,20)
InChIKeyURFIXEFSVNPXHS-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80969675
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80965650) is 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2cc(C)ccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is URFIXEFSVNPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-18-14-9-15(20-16(19-14)11-5-6-11)21-13-8-10(2)4-7-12(13)17/h4,7-9,11H,3,5-6H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).