4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine

C15H25N3O — CID 70709141

IUPAC4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOCCCC1CCCN(c2ncnc(C)c2C)C1
InChIInChI=1S/C15H25N3O/c1-12-13(2)16-11-17-15(12)18-8-4-6-14(10-18)7-5-9-19-3/h11,14H,4-10H2,1-3H3
InChIKeyBHAFMHQDAXZDSO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds5

About 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine

4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 70709141) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine
PubChem CID70709141
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOCCCC1CCCN(c2ncnc(C)c2C)C1
InChIInChI=1S/C15H25N3O/c1-12-13(2)16-11-17-15(12)18-8-4-6-14(10-18)7-5-9-19-3/h11,14H,4-10H2,1-3H3
InChIKeyBHAFMHQDAXZDSO-UHFFFAOYSA-N
XLogP2.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine 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

3-[(3R*,4S*)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
CID 72895556
4-[4-(Fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine
CID 122160169
(1-{2-[(5,6-Dimethylpyrimidin-4-YL)amino]ethyl}piperidin-3-YL)methanol
CID 72889846
4-[1-(4,5-Dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol
CID 71164958
4-(5,6-Dimethylpyrimidin-4-yl)morpholine
CID 122160357
[3-(3-Aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 155717565
4,5-Dimethyl-6-piperidin-1-ylpyrimidine
CID 169833544
2-[1-(6-Methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357812
1-[1-(5,6-Dimethyl-4-pyrimidinyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70707412
(3R*,4R*)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 70711702
4-Cyclopropyl-6-[3-(3-methoxypropyl)-1-piperidinyl]pyrimidine
CID 70713706
1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 70728061

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine (CID 70709141) is 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine is COCCCC1CCCN(c2ncnc(C)c2C)C1.
What is the InChIKey of 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is BHAFMHQDAXZDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-13(2)16-11-17-15(12)18-8-4-6-14(10-18)7-5-9-19-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 263.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypropyl)piperidin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 70709141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).