1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one

C10H17N3O3 — CID 115475514

IUPAC1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
SMILESCOCCNCC(O)Cn1cccnc1=O
InChIInChI=1S/C10H17N3O3/c1-16-6-4-11-7-9(14)8-13-5-2-3-12-10(13)15/h2-3,5,9,11,14H,4,6-8H2,1H3
InChIKeyKPSVSCBIAHKNTQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.16
Rot. Bonds7

About 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one

1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one (PubChem CID 115475514) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
PubChem CID115475514
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
SMILESCOCCNCC(O)Cn1cccnc1=O
InChIInChI=1S/C10H17N3O3/c1-16-6-4-11-7-9(14)8-13-5-2-3-12-10(13)15/h2-3,5,9,11,14H,4,6-8H2,1H3
InChIKeyKPSVSCBIAHKNTQ-UHFFFAOYSA-N
XLogP-1.16
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475877
1-[(2R)-2,3-dihydroxypropyl]pyrimidin-2-one
CID 130130720
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one
CID 115475683
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione
CID 115475508
5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
CID 114395471
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
5-bromo-3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-2-methylpyrimidin-4-one
CID 113317725
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
CID 115475830
1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
CID 62562943
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673
1-[(2S)-2-aminopropyl]pyrimidin-2-one
CID 30429240

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one (CID 115475514) is 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one is COCCNCC(O)Cn1cccnc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
The InChIKey is KPSVSCBIAHKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-16-6-4-11-7-9(14)8-13-5-2-3-12-10(13)15/h2-3,5,9,11,14H,4,6-8H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one has a molecular weight of 227.26 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one is sourced from PubChem (CID 115475514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).