2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H14IN3O2 — CID 66302004

IUPAC2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cc3ccccc3o2)nc(COC)c1I
InChIInChI=1S/C15H14IN3O2/c1-17-15-13(16)10(8-20-2)18-14(19-15)12-7-9-5-3-4-6-11(9)21-12/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyWIASMNHTAWQCHT-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.68
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66302004) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66302004
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC Name2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cc3ccccc3o2)nc(COC)c1I
InChIInChI=1S/C15H14IN3O2/c1-17-15-13(16)10(8-20-2)18-14(19-15)12-7-9-5-3-4-6-11(9)21-12/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyWIASMNHTAWQCHT-UHFFFAOYSA-N
XLogP3.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.68
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

2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297973
2-(1-benzothiophen-3-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66295466
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103445159
2-(4-fluoro-2-methylphenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 81277426
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 63091500
N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366260
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302205
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66302417
2-(1-benzofuran-2-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477762

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66302004) is 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2cc3ccccc3o2)nc(COC)c1I.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is WIASMNHTAWQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2/c1-17-15-13(16)10(8-20-2)18-14(19-15)12-7-9-5-3-4-6-11(9)21-12/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 395.20 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).