5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine

C11H18IN3O — CID 116729353

IUPAC5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C(C)C)nc(C)c1I
InChIInChI=1S/C11H18IN3O/c1-6(2)9(16-5)11-14-7(3)8(12)10(13-4)15-11/h6,9H,1-5H3,(H,13,14,15)
InChIKeyPZJWXQREFXRWIR-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.77
Rot. Bonds4

About 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine

5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 116729353) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID116729353
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(OC)C(C)C)nc(C)c1I
InChIInChI=1S/C11H18IN3O/c1-6(2)9(16-5)11-14-7(3)8(12)10(13-4)15-11/h6,9H,1-5H3,(H,13,14,15)
InChIKeyPZJWXQREFXRWIR-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.77
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-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116729350
5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729716
N-ethyl-2-(1-methoxy-2-methylpropyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116729084
2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731574
N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 116729449
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 116729227
2-(1-methoxy-2-methylpropyl)-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 116728437
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 116731705
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102618349
2-(1-methoxy-2-methylpropyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 116728724

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine (CID 116729353) is 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(C(OC)C(C)C)nc(C)c1I.
What is the InChIKey of 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is PZJWXQREFXRWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-6(2)9(16-5)11-14-7(3)8(12)10(13-4)15-11/h6,9H,1-5H3,(H,13,14,15).
What are the key properties of 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine?
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 335.19 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116729353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).