3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one

C9H14IN3O2 — CID 66309061

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
SMILESCCNCC(O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H14IN3O2/c1-2-11-3-7(14)5-13-6-12-4-8(10)9(13)15/h4,6-7,11,14H,2-3,5H2,1H3
InChIKeyRANOJDQMKFZOGH-UHFFFAOYSA-N
MW323.13 g/mol
LogP-0.18
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one

3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one (PubChem CID 66309061) has the molecular formula C9H14IN3O2 and a molecular weight of 323.13 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
PubChem CID66309061
Molecular FormulaC9H14IN3O2
Molecular Weight323.13 g/mol
Exact Mass323.01
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
SMILESCCNCC(O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H14IN3O2/c1-2-11-3-7(14)5-13-6-12-4-8(10)9(13)15/h4,6-7,11,14H,2-3,5H2,1H3
InChIKeyRANOJDQMKFZOGH-UHFFFAOYSA-N
XLogP-0.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(ethylamino)-2-hydroxypropyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342931
3-(3-chloro-2-methylpropyl)-5-iodopyrimidin-4-one
CID 66309905
5-iodo-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 66308876
3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one
CID 114760449
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66309055
5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one
CID 83131114
1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 43165910
3-(2-ethoxyethyl)-5-iodopyrimidin-4-one
CID 66309062
5-iodo-3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114476424
3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-iodopyrimidin-4-one
CID 103057459
potassium trifluoro-[(5-iodo-6-oxopyrimidin-1-yl)methyl]boranuide
CID 66308247

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one (CID 66309061) is 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one is CCNCC(O)Cn1cncc(I)c1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
The InChIKey is RANOJDQMKFZOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O2/c1-2-11-3-7(14)5-13-6-12-4-8(10)9(13)15/h4,6-7,11,14H,2-3,5H2,1H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one?
3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one has a molecular weight of 323.13 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).