3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol

C16H21N3O2 — CID 107922151

IUPAC3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCOCCNCc1c(C)nc(-c2cccc(O)c2)nc1C
InChIInChI=1S/C16H21N3O2/c1-11-15(10-17-7-8-21-3)12(2)19-16(18-11)13-5-4-6-14(20)9-13/h4-6,9,17,20H,7-8,10H2,1-3H3
InChIKeyWGAIUCNUVFXXGO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.20
Rot. Bonds6

About 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol

3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol (PubChem CID 107922151) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol
PubChem CID107922151
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCOCCNCc1c(C)nc(-c2cccc(O)c2)nc1C
InChIInChI=1S/C16H21N3O2/c1-11-15(10-17-7-8-21-3)12(2)19-16(18-11)13-5-4-6-14(20)9-13/h4-6,9,17,20H,7-8,10H2,1-3H3
InChIKeyWGAIUCNUVFXXGO-UHFFFAOYSA-N
XLogP2.20
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
N-[[2-(3,4-dichlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 81495126
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 62321190
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 107922025
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62744964
4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 136889475
2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
CID 62744609
3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol
CID 66297783

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol?
The IUPAC name of 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol (CID 107922151) is 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol?
The canonical SMILES for 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol is COCCNCc1c(C)nc(-c2cccc(O)c2)nc1C.
What is the InChIKey of 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol?
The InChIKey is WGAIUCNUVFXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-15(10-17-7-8-21-3)12(2)19-16(18-11)13-5-4-6-14(20)9-13/h4-6,9,17,20H,7-8,10H2,1-3H3.
What are the key properties of 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol?
3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol is sourced from PubChem (CID 107922151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).