5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one

C10H11IN4O — CID 82876264

IUPAC5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2ccn(C)n2)c(=O)c1I
InChIInChI=1S/C10H11IN4O/c1-7-9(11)10(16)15(6-12-7)5-8-3-4-14(2)13-8/h3-4,6H,5H2,1-2H3
InChIKeyJSZRKXUXTMUPAH-UHFFFAOYSA-N
MW330.13 g/mol
LogP0.94
Rot. Bonds2

About 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one

5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 82876264) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
PubChem CID82876264
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2ccn(C)n2)c(=O)c1I
InChIInChI=1S/C10H11IN4O/c1-7-9(11)10(16)15(6-12-7)5-8-3-4-14(2)13-8/h3-4,6H,5H2,1-2H3
InChIKeyJSZRKXUXTMUPAH-UHFFFAOYSA-N
XLogP0.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 50.94
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

3-[(2-amino-1,3-thiazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341564
3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 82882780
5-iodo-6-methyl-3-propylpyrimidin-4-one
CID 66343113
5-iodo-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 66342432
5-iodo-6-methyl-3-[(1-methylindazol-3-yl)methyl]pyrimidin-4-one
CID 66342435
3-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102858170
3-(3,3-dimethylbutyl)-5-iodo-6-methylpyrimidin-4-one
CID 66341336
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanal
CID 66341116
5-iodo-6-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 66341783
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
5-iodo-6-methyl-3-(3-oxobutyl)pyrimidin-4-one
CID 66341570
3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66340223

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one (CID 82876264) is 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one is Cc1ncn(Cc2ccn(C)n2)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is JSZRKXUXTMUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-7-9(11)10(16)15(6-12-7)5-8-3-4-14(2)13-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 330.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 82876264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).