2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine

C8H11F2N3O — CID 103146522

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine
SMILESNc1cnc(CCOCC(F)F)nc1
InChIInChI=1S/C8H11F2N3O/c9-7(10)5-14-2-1-8-12-3-6(11)4-13-8/h3-4,7H,1-2,5,11H2
InChIKeyQBLKNYCUQNVQOM-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.88
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine

2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine (PubChem CID 103146522) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine
PubChem CID103146522
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine
SMILESNc1cnc(CCOCC(F)F)nc1
InChIInChI=1S/C8H11F2N3O/c9-7(10)5-14-2-1-8-12-3-6(11)4-13-8/h3-4,7H,1-2,5,11H2
InChIKeyQBLKNYCUQNVQOM-UHFFFAOYSA-N
XLogP0.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 5-amino-2-butoxy-
CID 3041747
2-Methylpyrimidin-5-amine
CID 295764
2-Methoxypyrimidin-5-amine
CID 352904
2-(Trifluoromethyl)pyrimidin-5-amine
CID 14290906
2-tert-Butylpyrimidin-5-amine
CID 43142225
2-Ethoxypyrimidin-5-amine
CID 45080263
2-(Morpholin-4-yl)pyrimidin-5-amine
CID 12395471
2-(Trifluoromethyl)pyrimidine-4,5-diamine
CID 33727892
2-(Propan-2-yl)pyrimidin-5-amine
CID 43142233
2-Propylpyrimidin-5-amine
CID 43670459
2-methoxy-N-methylpyrimidin-5-amine
CID 55298893
2-(2-Methoxyethoxy)pyrimidin-5-amine
CID 61146770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine (CID 103146522) is 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine is Nc1cnc(CCOCC(F)F)nc1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine?
The InChIKey is QBLKNYCUQNVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-7(10)5-14-2-1-8-12-3-6(11)4-13-8/h3-4,7H,1-2,5,11H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine?
2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-amine has a molecular weight of 203.19 g/mol, XLogP of 0.88, 5 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]pyrimidin-5-amine is sourced from PubChem (CID 103146522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).