3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one

C10H11IN4O — CID 66340223

IUPAC3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCn2ccnc2)c(=O)c1I
InChIInChI=1S/C10H11IN4O/c1-8-9(11)10(16)15(7-13-8)5-4-14-3-2-12-6-14/h2-3,6-7H,4-5H2,1H3
InChIKeyPCUDCHUEYCHNTO-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.05
Rot. Bonds3

About 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one

3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one (PubChem CID 66340223) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
PubChem CID66340223
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCn2ccnc2)c(=O)c1I
InChIInChI=1S/C10H11IN4O/c1-8-9(11)10(16)15(7-13-8)5-4-14-3-2-12-6-14/h2-3,6-7H,4-5H2,1H3
InChIKeyPCUDCHUEYCHNTO-UHFFFAOYSA-N
XLogP1.05
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
3-(2-imidazol-1-ylethyl)-5-iodopyrimidin-4-one
CID 66310129
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975
3-(2-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66341772
3-[3-(tert-butylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341796
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82876264
1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one
CID 115777761
5-iodo-6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66343138
3-(cyclopropylmethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66341337
5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061181
5-iodo-6-methyl-3-(3-phenylprop-2-ynyl)pyrimidin-4-one
CID 66341771
ethyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66340203

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one (CID 66340223) is 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one is Cc1ncn(CCn2ccnc2)c(=O)c1I.
What is the InChIKey of 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is PCUDCHUEYCHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-8-9(11)10(16)15(7-13-8)5-4-14-3-2-12-6-14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one?
3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 330.13 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 66340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).