5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine

C12H20IN3O — CID 116730016

IUPAC5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCC(OC)c1nc(N)c(I)c(CC(C)C)n1
InChIInChI=1S/C12H20IN3O/c1-5-9(17-4)12-15-8(6-7(2)3)10(13)11(14)16-12/h7,9H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyFRVKLRRSZPMVHC-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.96
Rot. Bonds5

About 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine

5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 116730016) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID116730016
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCC(OC)c1nc(N)c(I)c(CC(C)C)n1
InChIInChI=1S/C12H20IN3O/c1-5-9(17-4)12-15-8(6-7(2)3)10(13)11(14)16-12/h7,9H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyFRVKLRRSZPMVHC-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729582
6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
CID 116729911
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384
5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine
CID 79616383
6-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66295797
[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116730454
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66297300
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
4-tert-butyl-6-chloro-5-iodo-2-(1-methoxypropyl)pyrimidine
CID 116706468
5-iodo-6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476348
4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
CID 116734138

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 116730016) is 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine is CCC(OC)c1nc(N)c(I)c(CC(C)C)n1.
What is the InChIKey of 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is FRVKLRRSZPMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-5-9(17-4)12-15-8(6-7(2)3)10(13)11(14)16-12/h7,9H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine?
5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 116730016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).