5-iodo-6-methyl-2-phenylpyrimidin-4-amine

C11H10IN3 — CID 12795372

IUPAC5-iodo-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)nc(N)c1I
InChIInChI=1S/C11H10IN3/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyCAXAQSBOZXKUKT-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.64
Rot. Bonds1

About 5-iodo-6-methyl-2-phenylpyrimidin-4-amine

5-iodo-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 12795372) has the molecular formula C11H10IN3 and a molecular weight of 311.13 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID12795372
Molecular FormulaC11H10IN3
Molecular Weight311.13 g/mol
Exact Mass310.99
IUPAC Name5-iodo-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)nc(N)c1I
InChIInChI=1S/C11H10IN3/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyCAXAQSBOZXKUKT-UHFFFAOYSA-N
XLogP2.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
2-[4-(difluoromethyl)phenyl]-5-iodo-6-methylpyrimidin-4-amine
CID 113328565
5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66300126
5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105171
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
2-(3-bromo-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 105410430
2-(3-fluoro-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306892
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
5-iodo-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 66297847
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66295536

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-phenylpyrimidin-4-amine (CID 12795372) is 5-iodo-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-phenylpyrimidin-4-amine is Cc1nc(-c2ccccc2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is CAXAQSBOZXKUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-iodo-6-methyl-2-phenylpyrimidin-4-amine?
5-iodo-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 311.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 12795372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).