N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C10H13F4N3O2 — CID 106289263

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCOc1ncnc(OC)c1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3O2/c1-18-7-6(8(19-2)17-5-16-7)3-15-4-10(13,14)9(11)12/h5,9,15H,3-4H2,1-2H3
InChIKeyLJYNMTNMIXTZHW-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.48
Rot. Bonds7

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106289263) has the molecular formula C10H13F4N3O2 and a molecular weight of 283.23 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106289263
Molecular FormulaC10H13F4N3O2
Molecular Weight283.23 g/mol
Exact Mass283.09
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCOc1ncnc(OC)c1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3O2/c1-18-7-6(8(19-2)17-5-16-7)3-15-4-10(13,14)9(11)12/h5,9,15H,3-4H2,1-2H3
InChIKeyLJYNMTNMIXTZHW-UHFFFAOYSA-N
XLogP1.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106289263) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is COc1ncnc(OC)c1CNCC(F)(F)C(F)F.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is LJYNMTNMIXTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O2/c1-18-7-6(8(19-2)17-5-16-7)3-15-4-10(13,14)9(11)12/h5,9,15H,3-4H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 283.23 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106289263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).