5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one

C11H11IN4O — CID 136993976

IUPAC5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(Cc1ccncc1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H11IN4O/c1-16(6-8-2-4-13-5-3-8)10-9(12)11(17)15-7-14-10/h2-5,7H,6H2,1H3,(H,14,15,17)
InChIKeyFMWAPVZYOHJJMU-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.41
Rot. Bonds3

About 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136993976) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136993976
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(Cc1ccncc1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H11IN4O/c1-16(6-8-2-4-13-5-3-8)10-9(12)11(17)15-7-14-10/h2-5,7H,6H2,1H3,(H,14,15,17)
InChIKeyFMWAPVZYOHJJMU-UHFFFAOYSA-N
XLogP1.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970981
4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136993915
4-[(4-bromothiophen-2-yl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136971079
4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
5-bromo-4-[(4-ethylphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970837
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957719
4-[(4-aminophenyl)methyl-propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979283
methyl 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoate
CID 137007656
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
4-[benzyl(cyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970813

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136993976) is 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one is CN(Cc1ccncc1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FMWAPVZYOHJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-16(6-8-2-4-13-5-3-8)10-9(12)11(17)15-7-14-10/h2-5,7H,6H2,1H3,(H,14,15,17).
What are the key properties of 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 342.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136993976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).