3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one

C11H10ClIN4O — CID 66342907

IUPAC3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2nc(N)ccc2Cl)c(=O)c1I
InChIInChI=1S/C11H10ClIN4O/c1-6-10(13)11(18)17(5-15-6)4-8-7(12)2-3-9(14)16-8/h2-3,5H,4H2,1H3,(H2,14,16)
InChIKeyNQJXLVLEALOSHK-UHFFFAOYSA-N
MW376.59 g/mol
LogP1.84
Rot. Bonds2

About 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one

3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one (PubChem CID 66342907) has the molecular formula C11H10ClIN4O and a molecular weight of 376.59 g/mol. Its IUPAC name is 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one
PubChem CID66342907
Molecular FormulaC11H10ClIN4O
Molecular Weight376.59 g/mol
Exact Mass375.96
IUPAC Name3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2nc(N)ccc2Cl)c(=O)c1I
InChIInChI=1S/C11H10ClIN4O/c1-6-10(13)11(18)17(5-15-6)4-8-7(12)2-3-9(14)16-8/h2-3,5H,4H2,1H3,(H2,14,16)
InChIKeyNQJXLVLEALOSHK-UHFFFAOYSA-N
XLogP1.84
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,6-dichloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340007
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340017
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66343132
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-[(2-chloro-5-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102619555
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172351
3-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102858170
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
3-[(2-amino-1,3-thiazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341564
3-[(2-chloro-5-nitrophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339788
5-iodo-6-methyl-3-[(1-methylindazol-3-yl)methyl]pyrimidin-4-one
CID 66342435
4-[(5-iodo-4-methyl-6-oxopyrimidin-1-yl)methyl]benzohydrazide
CID 66341583

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one (CID 66342907) is 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one is Cc1ncn(Cc2nc(N)ccc2Cl)c(=O)c1I.
What is the InChIKey of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is NQJXLVLEALOSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN4O/c1-6-10(13)11(18)17(5-15-6)4-8-7(12)2-3-9(14)16-8/h2-3,5H,4H2,1H3,(H2,14,16).
What are the key properties of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one?
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 376.59 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 66342907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).