2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine

C13H19F4N3O — CID 103476559

IUPAC2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccnc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H19F4N3O/c1-9(2)5-18-6-10-3-4-19-11(20-10)7-21-8-13(16,17)12(14)15/h3-4,9,12,18H,5-8H2,1-2H3
InChIKeyFTCAZALTEAASAB-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.64
Rot. Bonds9

About 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 103476559) has the molecular formula C13H19F4N3O and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID103476559
Molecular FormulaC13H19F4N3O
Molecular Weight309.31 g/mol
Exact Mass309.15
IUPAC Name2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccnc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H19F4N3O/c1-9(2)5-18-6-10-3-4-19-11(20-10)7-21-8-13(16,17)12(14)15/h3-4,9,12,18H,5-8H2,1-2H3
InChIKeyFTCAZALTEAASAB-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 103476626
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476573
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075000
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62797615
N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62747917
N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 116731108
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473589
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
CID 62455254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 103476559) is 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine is CC(C)CNCc1ccnc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is FTCAZALTEAASAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4N3O/c1-9(2)5-18-6-10-3-4-19-11(20-10)7-21-8-13(16,17)12(14)15/h3-4,9,12,18H,5-8H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 309.31 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103476559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).