6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine

C16H21N3O2 — CID 104663227

IUPAC6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2OCCOC)ncn1
InChIInChI=1S/C16H21N3O2/c1-3-8-17-16-11-14(18-12-19-16)13-6-4-5-7-15(13)21-10-9-20-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyWTQPYMQTKMKIHR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds8

About 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine

6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine (PubChem CID 104663227) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
PubChem CID104663227
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2OCCOC)ncn1
InChIInChI=1S/C16H21N3O2/c1-3-8-17-16-11-14(18-12-19-16)13-6-4-5-7-15(13)21-10-9-20-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyWTQPYMQTKMKIHR-UHFFFAOYSA-N
XLogP2.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
CID 104663148
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
CID 114747290
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
CID 104568201
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine (CID 104663227) is 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccccc2OCCOC)ncn1.
What is the InChIKey of 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine?
The InChIKey is WTQPYMQTKMKIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-17-16-11-14(18-12-19-16)13-6-4-5-7-15(13)21-10-9-20-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine?
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104663227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).