N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine

C13H15N3O2 — CID 80870346

IUPACN-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(OC)cc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-3-14-12-8-13(16-9-15-12)18-11-6-4-10(17-2)5-7-11/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyAPPHIMUQRLVYAA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine

N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 80870346) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
PubChem CID80870346
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(OC)cc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-3-14-12-8-13(16-9-15-12)18-11-6-4-10(17-2)5-7-11/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyAPPHIMUQRLVYAA-UHFFFAOYSA-N
XLogP2.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-(4-methoxyphenoxy)pyrimidin-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-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80794827
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine (CID 80870346) is N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine is CCNc1cc(Oc2ccc(OC)cc2)ncn1.
What is the InChIKey of N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is APPHIMUQRLVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-14-12-8-13(16-9-15-12)18-11-6-4-10(17-2)5-7-11/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 245.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80870346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).