5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine

C11H11IN4 — CID 104823417

IUPAC5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)nc2)ncc1I
InChIInChI=1S/C11H11IN4/c1-7-3-4-8(5-14-7)10-15-6-9(12)11(13-2)16-10/h3-6H,1-2H3,(H,13,15,16)
InChIKeyLAJKGGPWCXOKHO-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.49
Rot. Bonds2

About 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine

5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 104823417) has the molecular formula C11H11IN4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID104823417
Molecular FormulaC11H11IN4
Molecular Weight326.14 g/mol
Exact Mass326.00
IUPAC Name5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)nc2)ncc1I
InChIInChI=1S/C11H11IN4/c1-7-3-4-8(5-14-7)10-15-6-9(12)11(13-2)16-10/h3-6H,1-2H3,(H,13,15,16)
InChIKeyLAJKGGPWCXOKHO-UHFFFAOYSA-N
XLogP2.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.49
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

5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
N,5,6-trimethyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823338
5-iodo-N-methyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66302903
2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66301471
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66295504
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
5-bromo-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 66296832
2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 114557450
5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
CID 114077544
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine (CID 104823417) is 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine is CNc1nc(-c2ccc(C)nc2)ncc1I.
What is the InChIKey of 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is LAJKGGPWCXOKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4/c1-7-3-4-8(5-14-7)10-15-6-9(12)11(13-2)16-10/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 326.14 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 104823417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).