2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C11H18IN3O — CID 66301388

IUPAC2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(COC)c1I
InChIInChI=1S/C11H18IN3O/c1-11(2,3)10-14-7(6-16-5)8(12)9(13-4)15-10/h6H2,1-5H3,(H,13,14,15)
InChIKeyQVTHCFYAIDPZMY-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.57
Rot. Bonds3

About 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66301388) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66301388
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(COC)c1I
InChIInChI=1S/C11H18IN3O/c1-11(2,3)10-14-7(6-16-5)8(12)9(13-4)15-10/h6H2,1-5H3,(H,13,14,15)
InChIKeyQVTHCFYAIDPZMY-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.57
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-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476310
N-ethyl-5-iodo-2-(2-methoxybutan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116777004
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66302829
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66302417
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
CID 103348437
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66301388) is 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(COC)c1I.
What is the InChIKey of 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is QVTHCFYAIDPZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-11(2,3)10-14-7(6-16-5)8(12)9(13-4)15-10/h6H2,1-5H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 335.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).