5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine

C12H20IN3O — CID 116503015

IUPAC5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(C)c1I
InChIInChI=1S/C12H20IN3O/c1-5-6-14-12-10(13)9(3)15-11(16-12)8(2)7-17-4/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyGSDXBYAXHURPEN-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.96
Rot. Bonds6

About 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine

5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116503015) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116503015
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)COC)nc(C)c1I
InChIInChI=1S/C12H20IN3O/c1-5-6-14-12-10(13)9(3)15-11(16-12)8(2)7-17-4/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyGSDXBYAXHURPEN-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.96
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-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
CID 114201160
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503060
[2-(1-methoxypropan-2-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 116503114
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine (CID 116503015) is 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)COC)nc(C)c1I.
What is the InChIKey of 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is GSDXBYAXHURPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-5-6-14-12-10(13)9(3)15-11(16-12)8(2)7-17-4/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116503015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).