2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine

C13H19F4N3O — CID 83185586

IUPAC2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1nc(OCC(F)(F)C(F)F)ncc1CNCC(C)C
InChIInChI=1S/C13H19F4N3O/c1-8(2)4-18-5-10-6-19-12(20-9(10)3)21-7-13(16,17)11(14)15/h6,8,11,18H,4-5,7H2,1-3H3
InChIKeyWGZIRJQAHUKJML-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.81
Rot. Bonds8

About 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83185586) has the molecular formula C13H19F4N3O and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83185586
Molecular FormulaC13H19F4N3O
Molecular Weight309.31 g/mol
Exact Mass309.15
IUPAC Name2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1nc(OCC(F)(F)C(F)F)ncc1CNCC(C)C
InChIInChI=1S/C13H19F4N3O/c1-8(2)4-18-5-10-6-19-12(20-9(10)3)21-7-13(16,17)11(14)15/h6,8,11,18H,4-5,7H2,1-3H3
InChIKeyWGZIRJQAHUKJML-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.81
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

2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
4-(Trifluoromethyl)-5-methylpyrimidin-2-amine
CID 10773633
2-[2-[(4,5-Dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 75436307
1-[2-(2,2,2-Trifluoroethoxy)pyrimidin-5-yl]ethanamine
CID 58629018
N-[[2-bromo-4-(trifluoromethyl)pyrimidin-5-yl]methyl]acetamide
CID 59453391
2-(2,2-Difluoroethoxy)-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487097
2-(2,2,2-Trifluoro-ethoxy)-6,7-dihydro-5H-pyrrolo[3,4-D]pyrimidine
CID 59487099
6-Propan-2-yl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487100
2-(2,2-difluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59487102
5-[(Cyclopropylmethyl-amino)-methyl]-4-trifluoromethyl-pyrimidin-2-ylamine
CID 59825969
2-Methoxy-5-methyl-4-(trifluoromethyl)pyrimidine
CID 68062824
N-ethyl-4-methyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine (CID 83185586) is 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine is Cc1nc(OCC(F)(F)C(F)F)ncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is WGZIRJQAHUKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4N3O/c1-8(2)4-18-5-10-6-19-12(20-9(10)3)21-7-13(16,17)11(14)15/h6,8,11,18H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 309.31 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83185586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).