3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C19H25N3O2 — CID 91793673

IUPAC3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1ccc(CCCNc2cc(C3CC(O)C3)nc(C)n2)cc1
InChIInChI=1S/C19H25N3O2/c1-13-21-18(15-10-16(23)11-15)12-19(22-13)20-9-3-4-14-5-7-17(24-2)8-6-14/h5-8,12,15-16,23H,3-4,9-11H2,1-2H3,(H,20,21,22)
InChIKeyYWXSCWYSENQNAR-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds7

About 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91793673) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91793673
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1ccc(CCCNc2cc(C3CC(O)C3)nc(C)n2)cc1
InChIInChI=1S/C19H25N3O2/c1-13-21-18(15-10-16(23)11-15)12-19(22-13)20-9-3-4-14-5-7-17(24-2)8-6-14/h5-8,12,15-16,23H,3-4,9-11H2,1-2H3,(H,20,21,22)
InChIKeyYWXSCWYSENQNAR-UHFFFAOYSA-N
XLogP3.08
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol 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-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
CID 91762966
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
CID 91790847
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91762907
3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769346
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91793673) is 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is COc1ccc(CCCNc2cc(C3CC(O)C3)nc(C)n2)cc1.
What is the InChIKey of 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YWXSCWYSENQNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-21-18(15-10-16(23)11-15)12-19(22-13)20-9-3-4-14-5-7-17(24-2)8-6-14/h5-8,12,15-16,23H,3-4,9-11H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 327.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91793673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).