6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H16ClN3O — CID 80965500

IUPAC6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H16ClN3O/c1-2-17-13-9-14(19-15(18-13)10-7-8-10)20-12-6-4-3-5-11(12)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyAGHCISSSGGDLRP-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.23
Rot. Bonds5

About 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80965500) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80965500
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H16ClN3O/c1-2-17-13-9-14(19-15(18-13)10-7-8-10)20-12-6-4-3-5-11(12)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyAGHCISSSGGDLRP-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965836
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
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80965500) is 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is AGHCISSSGGDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-17-13-9-14(19-15(18-13)10-7-8-10)20-12-6-4-3-5-11(12)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19).
What are the key properties of 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 289.77 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).