6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine

C16H21N3O2 — CID 104663231

IUPAC6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1-c1ccccc1OCCOC
InChIInChI=1S/C16H21N3O2/c1-3-6-13-15(18-11-19-16(13)17)12-7-4-5-8-14(12)21-10-9-20-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyBSRDPOCJELZDAT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.70
Rot. Bonds7

About 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine

6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine (PubChem CID 104663231) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine
PubChem CID104663231
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1-c1ccccc1OCCOC
InChIInChI=1S/C16H21N3O2/c1-3-6-13-15(18-11-19-16(13)17)12-7-4-5-8-14(12)21-10-9-20-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyBSRDPOCJELZDAT-UHFFFAOYSA-N
XLogP2.70
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.70
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

4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102
N-ethyl-3-[2-(2-methoxyethoxy)phenyl]pyrazin-2-amine
CID 104663215
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
CID 104739267
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
CID 103176433
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80795825
4-(2-propoxyphenyl)phthalazin-1-amine
CID 104663111

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine (CID 104663231) is 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1-c1ccccc1OCCOC.
What is the InChIKey of 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine?
The InChIKey is BSRDPOCJELZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-6-13-15(18-11-19-16(13)17)12-7-4-5-8-14(12)21-10-9-20-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine?
6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.70, 7 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]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 104663231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).