2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine

C15H15Cl2N3O — CID 80965855

IUPAC2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C15H15Cl2N3O/c1-2-18-13-8-14(20-15(19-13)9-3-4-9)21-12-6-10(16)5-11(17)7-12/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyRFOBRKQCKVICLR-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.88
Rot. Bonds5

About 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine

2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80965855) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80965855
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C15H15Cl2N3O/c1-2-18-13-8-14(20-15(19-13)9-3-4-9)21-12-6-10(16)5-11(17)7-12/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyRFOBRKQCKVICLR-UHFFFAOYSA-N
XLogP4.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-(3,5-dichlorophenoxy)-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

2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966700

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine (CID 80965855) is 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2cc(Cl)cc(Cl)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is RFOBRKQCKVICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-2-18-13-8-14(20-15(19-13)9-3-4-9)21-12-6-10(16)5-11(17)7-12/h5-9H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 324.21 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).