2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine

C15H17ClIN3O — CID 104818339

IUPAC2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2OC)nc(C(C)C)c1I
InChIInChI=1S/C15H17ClIN3O/c1-8(2)13-12(17)15(18-3)20-14(19-13)11-9(16)6-5-7-10(11)21-4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyLSIZRIRMRVJDJR-UHFFFAOYSA-N
MW417.68 g/mol
LogP4.58
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 104818339) has the molecular formula C15H17ClIN3O and a molecular weight of 417.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID104818339
Molecular FormulaC15H17ClIN3O
Molecular Weight417.68 g/mol
Exact Mass417.01
IUPAC Name2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2OC)nc(C(C)C)c1I
InChIInChI=1S/C15H17ClIN3O/c1-8(2)13-12(17)15(18-3)20-14(19-13)11-9(16)6-5-7-10(11)21-4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyLSIZRIRMRVJDJR-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66296605
4-chloro-2-(2-chloro-6-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 104816917
5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 103348431
2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 104818200
2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine
CID 50970917
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 113456422
5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106819726
[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104818402
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 104818259

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 104818339) is 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2c(Cl)cccc2OC)nc(C(C)C)c1I.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is LSIZRIRMRVJDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClIN3O/c1-8(2)13-12(17)15(18-3)20-14(19-13)11-9(16)6-5-7-10(11)21-4/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 417.68 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 104818339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).