3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one

C10H16IN3O — CID 66309055

IUPAC3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one
SMILESCCN(CC)CCn1cncc(I)c1=O
InChIInChI=1S/C10H16IN3O/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15/h7-8H,3-6H2,1-2H3
InChIKeyKZWBNJWVLSNBDZ-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.19
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one

3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one (PubChem CID 66309055) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one
PubChem CID66309055
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one
SMILESCCN(CC)CCn1cncc(I)c1=O
InChIInChI=1S/C10H16IN3O/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15/h7-8H,3-6H2,1-2H3
InChIKeyKZWBNJWVLSNBDZ-UHFFFAOYSA-N
XLogP1.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethyl)-5-iodopyrimidin-4-one
CID 66309062
5-iodo-3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114476424
3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342470
3-(2-imidazol-1-ylethyl)-5-iodopyrimidin-4-one
CID 66310129
3-(5-chloro-3-methylpentyl)-5-iodopyrimidin-4-one
CID 66310544
5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one
CID 82907417
potassium trifluoro-[(5-iodo-6-oxopyrimidin-1-yl)methyl]boranuide
CID 66308247
5-iodo-3-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 66310786
5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
CID 66310563
5-bromo-3-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309605
5-iodo-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 66308876
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-iodopyrimidin-4-one
CID 66309919

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one (CID 66309055) is 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one is CCN(CC)CCn1cncc(I)c1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one?
The InChIKey is KZWBNJWVLSNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one?
3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one has a molecular weight of 321.16 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).