[4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine

C11H15F4N3O — CID 103476641

IUPAC[4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine
SMILESCc1nc(COCC(F)(F)C(F)F)nc(C)c1CN
InChIInChI=1S/C11H15F4N3O/c1-6-8(3-16)7(2)18-9(17-6)4-19-5-11(14,15)10(12)13/h10H,3-5,16H2,1-2H3
InChIKeyOTXVMVUSOIPVKJ-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.97
Rot. Bonds6

About [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine

[4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine (PubChem CID 103476641) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine
PubChem CID103476641
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name[4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine
SMILESCc1nc(COCC(F)(F)C(F)F)nc(C)c1CN
InChIInChI=1S/C11H15F4N3O/c1-6-8(3-16)7(2)18-9(17-6)4-19-5-11(14,15)10(12)13/h10H,3-5,16H2,1-2H3
InChIKeyOTXVMVUSOIPVKJ-UHFFFAOYSA-N
XLogP1.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.97
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 [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine (CID 103476641) is [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine is Cc1nc(COCC(F)(F)C(F)F)nc(C)c1CN.
What is the InChIKey of [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine?
The InChIKey is OTXVMVUSOIPVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-6-8(3-16)7(2)18-9(17-6)4-19-5-11(14,15)10(12)13/h10H,3-5,16H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine?
[4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine has a molecular weight of 281.25 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 103476641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).