2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one

C11H10IN3O2 — CID 135480628

IUPAC2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(N)[nH]c(=O)c1I
InChIInChI=1S/C11H10IN3O2/c1-17-7-5-3-2-4-6(7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyOTYQGLBBGSZIKY-UHFFFAOYSA-N
MW343.12 g/mol
LogP1.63
Rot. Bonds2

About 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one

2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135480628) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135480628
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(N)[nH]c(=O)c1I
InChIInChI=1S/C11H10IN3O2/c1-17-7-5-3-2-4-6(7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyOTYQGLBBGSZIKY-UHFFFAOYSA-N
XLogP1.63
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one (CID 135480628) is 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccccc1-c1nc(N)[nH]c(=O)c1I.
What is the InChIKey of 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is OTYQGLBBGSZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c1-17-7-5-3-2-4-6(7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 343.12 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).