2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine

C11H9IN4O2 — CID 89215880

IUPAC2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(I)ncc2N=O)c1
InChIInChI=1S/C11H9IN4O2/c1-18-8-4-2-3-7(5-8)14-10-9(16-17)6-13-11(12)15-10/h2-6H,1H3,(H,13,14,15)
InChIKeyFRERHBVPHQUXMJ-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.23
Rot. Bonds4

About 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine

2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine (PubChem CID 89215880) has the molecular formula C11H9IN4O2 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine.

Molecular Properties

Compound Name2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine
PubChem CID89215880
Molecular FormulaC11H9IN4O2
Molecular Weight356.12 g/mol
Exact Mass355.98
IUPAC Name2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(I)ncc2N=O)c1
InChIInChI=1S/C11H9IN4O2/c1-18-8-4-2-3-7(5-8)14-10-9(16-17)6-13-11(12)15-10/h2-6H,1H3,(H,13,14,15)
InChIKeyFRERHBVPHQUXMJ-UHFFFAOYSA-N
XLogP3.23
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
4-N-(3-methoxyphenyl)-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482454
5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine?
The IUPAC name of 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine (CID 89215880) is 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine.
What is the SMILES notation for 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine?
The canonical SMILES for 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine is COc1cccc(Nc2nc(I)ncc2N=O)c1.
What is the InChIKey of 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine?
The InChIKey is FRERHBVPHQUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4O2/c1-18-8-4-2-3-7(5-8)14-10-9(16-17)6-13-11(12)15-10/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine?
2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine has a molecular weight of 356.12 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine is sourced from PubChem (CID 89215880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).