2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine

C12H18F2IN3O — CID 103150418

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)F)nc(CC)c1I
InChIInChI=1S/C12H18F2IN3O/c1-3-8-11(15)12(16-4-2)18-10(17-8)5-6-19-7-9(13)14/h9H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyOTOVFHWOZMOSRV-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.90
Rot. Bonds8

About 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine

2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine (PubChem CID 103150418) has the molecular formula C12H18F2IN3O and a molecular weight of 385.20 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
PubChem CID103150418
Molecular FormulaC12H18F2IN3O
Molecular Weight385.20 g/mol
Exact Mass385.05
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)F)nc(CC)c1I
InChIInChI=1S/C12H18F2IN3O/c1-3-8-11(15)12(16-4-2)18-10(17-8)5-6-19-7-9(13)14/h9H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyOTOVFHWOZMOSRV-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327
N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
CID 102928949
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136842459
6-ethyl-5-iodo-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66300059
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine (CID 103150418) is 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine is CCNc1nc(CCOCC(F)F)nc(CC)c1I.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
The InChIKey is OTOVFHWOZMOSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2IN3O/c1-3-8-11(15)12(16-4-2)18-10(17-8)5-6-19-7-9(13)14/h9H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine has a molecular weight of 385.20 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 103150418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).