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

C10H13F4N3O — CID 83189278

IUPACN-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C10H13F4N3O/c1-6-7(3-15-2)4-16-9(17-6)18-5-10(13,14)8(11)12/h4,8,15H,3,5H2,1-2H3
InChIKeyBSSOELBSNFEUDR-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.78
Rot. Bonds6

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

N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine (PubChem CID 83189278) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine
PubChem CID83189278
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C10H13F4N3O/c1-6-7(3-15-2)4-16-9(17-6)18-5-10(13,14)8(11)12/h4,8,15H,3,5H2,1-2H3
InChIKeyBSSOELBSNFEUDR-UHFFFAOYSA-N
XLogP1.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine (CID 83189278) is N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OCC(F)(F)C(F)F)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine?
The InChIKey is BSSOELBSNFEUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-6-7(3-15-2)4-16-9(17-6)18-5-10(13,14)8(11)12/h4,8,15H,3,5H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine has a molecular weight of 267.23 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).