6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine

C12H18IN3O — CID 79196796

IUPAC6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)OC)nc(C2CC2)c1I
InChIInChI=1S/C12H18IN3O/c1-12(2,17-4)11-15-9(7-5-6-7)8(13)10(14-3)16-11/h7H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyFWPLMUWWHVJJMH-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.88
Rot. Bonds4

About 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine

6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 79196796) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID79196796
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)OC)nc(C2CC2)c1I
InChIInChI=1S/C12H18IN3O/c1-12(2,17-4)11-15-9(7-5-6-7)8(13)10(14-3)16-11/h7H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyFWPLMUWWHVJJMH-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.88
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

6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine
CID 116777422
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777235
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66301958
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
6-cyclopropyl-2-(2,2-dimethylcyclopropyl)-5-iodo-N-methylpyrimidin-4-amine
CID 107925746
methyl 4-cyclopentyl-5-iodo-6-(methylamino)pyrimidine-2-carboxylate
CID 113390530
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66301547
2-(cyclohexylsulfanylmethyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302987
6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66312008
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine (CID 79196796) is 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine is CNc1nc(C(C)(C)OC)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is FWPLMUWWHVJJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-12(2,17-4)11-15-9(7-5-6-7)8(13)10(14-3)16-11/h7H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79196796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).