4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine

C11H11IN4O — CID 114053114

IUPAC4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cccc(I)c2)nc(N)n1
InChIInChI=1S/C11H11IN4O/c1-17-10-6-9(15-11(13)16-10)14-8-4-2-3-7(12)5-8/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyCVOKJJZQDBWYDC-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.42
Rot. Bonds3

About 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine

4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine (PubChem CID 114053114) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine
PubChem CID114053114
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cccc(I)c2)nc(N)n1
InChIInChI=1S/C11H11IN4O/c1-17-10-6-9(15-11(13)16-10)14-8-4-2-3-7(12)5-8/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyCVOKJJZQDBWYDC-UHFFFAOYSA-N
XLogP2.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053207
6-methoxy-4-N-(2-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053194
4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053016
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775922
4-N-(3-iodophenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770063
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053166
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
N-[3-(aminomethyl)phenyl]-6-methoxy-4-methylpyridin-2-amine;methane
CID 157374019
N-(3-ethylphenyl)-6-methoxy-4-methylpyridin-2-amine
CID 20714452
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
5-chloro-N-(3-iodophenyl)pyridin-2-amine
CID 66220543

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine (CID 114053114) is 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine is COc1cc(Nc2cccc(I)c2)nc(N)n1.
What is the InChIKey of 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine?
The InChIKey is CVOKJJZQDBWYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-17-10-6-9(15-11(13)16-10)14-8-4-2-3-7(12)5-8/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine?
4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine has a molecular weight of 342.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114053114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).