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

C11H18IN3O — CID 66342470

IUPAC3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
SMILESCCN(CC)CCn1c(C)ncc(I)c1=O
InChIInChI=1S/C11H18IN3O/c1-4-14(5-2)6-7-15-9(3)13-8-10(12)11(15)16/h8H,4-7H2,1-3H3
InChIKeyTXTRFAQKHMPFHI-UHFFFAOYSA-N
MW335.19 g/mol
LogP1.50
Rot. Bonds5

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

3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one (PubChem CID 66342470) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
PubChem CID66342470
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
SMILESCCN(CC)CCn1c(C)ncc(I)c1=O
InChIInChI=1S/C11H18IN3O/c1-4-14(5-2)6-7-15-9(3)13-8-10(12)11(15)16/h8H,4-7H2,1-3H3
InChIKeyTXTRFAQKHMPFHI-UHFFFAOYSA-N
XLogP1.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 51.50
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-chloroethyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340468
5-iodo-2-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
CID 66341162
ethyl 3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66341133
5-iodo-2-methyl-3-(4-oxohexyl)pyrimidin-4-one
CID 106801814
3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66309055
4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)butanenitrile
CID 66342248
5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
CID 66340708
5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
CID 104648896
5-iodo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66340719
5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
CID 66341372
3-[(4-ethylphenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342037
3-(3-bromo-2-methylpropyl)-5-iodo-2-methylpyrimidin-4-one
CID 66341136

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one (CID 66342470) is 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one is CCN(CC)CCn1c(C)ncc(I)c1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is TXTRFAQKHMPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-4-14(5-2)6-7-15-9(3)13-8-10(12)11(15)16/h8H,4-7H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one?
3-[2-(diethylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 335.19 g/mol, XLogP of 1.50, 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-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 66342470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).