4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine

C11H10ClIN4O — CID 114261697

IUPAC4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1Nc1cc(I)ccc1Cl
InChIInChI=1S/C11H10ClIN4O/c1-18-9-10(14)15-5-16-11(9)17-8-4-6(13)2-3-7(8)12/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyVUJHDPYRNQMMJP-UHFFFAOYSA-N
MW376.59 g/mol
LogP3.07
Rot. Bonds3

About 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine

4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine (PubChem CID 114261697) has the molecular formula C11H10ClIN4O and a molecular weight of 376.59 g/mol. Its IUPAC name is 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine
PubChem CID114261697
Molecular FormulaC11H10ClIN4O
Molecular Weight376.59 g/mol
Exact Mass375.96
IUPAC Name4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1Nc1cc(I)ccc1Cl
InChIInChI=1S/C11H10ClIN4O/c1-18-9-10(14)15-5-16-11(9)17-8-4-6(13)2-3-7(8)12/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyVUJHDPYRNQMMJP-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.07
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

4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684581
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
5-methoxy-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647101
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
4-N-(4-chloro-2-iodophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107639119
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine (CID 114261697) is 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine is COc1c(N)ncnc1Nc1cc(I)ccc1Cl.
What is the InChIKey of 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine?
The InChIKey is VUJHDPYRNQMMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN4O/c1-18-9-10(14)15-5-16-11(9)17-8-4-6(13)2-3-7(8)12/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine?
4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine has a molecular weight of 376.59 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine is sourced from PubChem (CID 114261697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).