2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C16H21N3O2 — CID 82453724

IUPAC2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NC(C)c2ccc(OC)cc2)cc(OC)n1
InChIInChI=1S/C16H21N3O2/c1-5-14-18-15(10-16(19-14)21-4)17-11(2)12-6-8-13(20-3)9-7-12/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyVDQVQVVXAIYDOY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.23
Rot. Bonds6

About 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 82453724) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID82453724
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NC(C)c2ccc(OC)cc2)cc(OC)n1
InChIInChI=1S/C16H21N3O2/c1-5-14-18-15(10-16(19-14)21-4)17-11(2)12-6-8-13(20-3)9-7-12/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyVDQVQVVXAIYDOY-UHFFFAOYSA-N
XLogP3.23
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]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-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 82453817
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193537
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326911
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 82453724) is 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is CCc1nc(NC(C)c2ccc(OC)cc2)cc(OC)n1.
What is the InChIKey of 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is VDQVQVVXAIYDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-14-18-15(10-16(19-14)21-4)17-11(2)12-6-8-13(20-3)9-7-12/h6-11H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 82453724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).