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

C10H16ClN3O3 — CID 115475877

IUPAC5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
SMILESCOCCNCC(O)Cn1cc(Cl)cnc1=O
InChIInChI=1S/C10H16ClN3O3/c1-17-3-2-12-5-9(15)7-14-6-8(11)4-13-10(14)16/h4,6,9,12,15H,2-3,5,7H2,1H3
InChIKeyULCNRVXRNYYUBM-UHFFFAOYSA-N
MW261.71 g/mol
LogP-0.51
Rot. Bonds7

About 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one

5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one (PubChem CID 115475877) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
PubChem CID115475877
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
SMILESCOCCNCC(O)Cn1cc(Cl)cnc1=O
InChIInChI=1S/C10H16ClN3O3/c1-17-3-2-12-5-9(15)7-14-6-8(11)4-13-10(14)16/h4,6,9,12,15H,2-3,5,7H2,1H3
InChIKeyULCNRVXRNYYUBM-UHFFFAOYSA-N
XLogP-0.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 5-0.51
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

1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475514
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one
CID 115475683
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
CID 115475830
5-bromo-3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-2-methylpyrimidin-4-one
CID 113317725
1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 115475769
5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one
CID 15650507
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673
5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
CID 114395471
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione
CID 115475508
1-(4-chlorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318003
1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
The IUPAC name of 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one (CID 115475877) is 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one is COCCNCC(O)Cn1cc(Cl)cnc1=O.
What is the InChIKey of 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
The InChIKey is ULCNRVXRNYYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-17-3-2-12-5-9(15)7-14-6-8(11)4-13-10(14)16/h4,6,9,12,15H,2-3,5,7H2,1H3.
What are the key properties of 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one?
5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one has a molecular weight of 261.71 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one is sourced from PubChem (CID 115475877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).