1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol

C9H15N3O2 — CID 140896989

IUPAC1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
SMILESCOCCNc1ncc(C(C)O)cn1
InChIInChI=1S/C9H15N3O2/c1-7(13)8-5-11-9(12-6-8)10-3-4-14-2/h5-7,13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPBKOBVWINJCVNQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.59
Rot. Bonds5

About 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol

1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol (PubChem CID 140896989) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
PubChem CID140896989
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
SMILESCOCCNc1ncc(C(C)O)cn1
InChIInChI=1S/C9H15N3O2/c1-7(13)8-5-11-9(12-6-8)10-3-4-14-2/h5-7,13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPBKOBVWINJCVNQ-UHFFFAOYSA-N
XLogP0.59
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.59
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

1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 114600318
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine
CID 87732677
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945
N-[1-[4-[2-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol (CID 140896989) is 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol is COCCNc1ncc(C(C)O)cn1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol?
The InChIKey is PBKOBVWINJCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(13)8-5-11-9(12-6-8)10-3-4-14-2/h5-7,13H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol?
1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol has a molecular weight of 197.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 140896989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).