N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine

C14H20F3N3 — CID 62744220

IUPACN-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CCCNC1CC1
InChIInChI=1S/C14H20F3N3/c1-9-12(4-3-7-18-11-5-6-11)10(2)20-13(19-9)8-14(15,16)17/h11,18H,3-8H2,1-2H3
InChIKeyGLXNJUJTWDHRMO-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.88
Rot. Bonds6

About N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine

N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 62744220) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID62744220
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CCCNC1CC1
InChIInChI=1S/C14H20F3N3/c1-9-12(4-3-7-18-11-5-6-11)10(2)20-13(19-9)8-14(15,16)17/h11,18H,3-8H2,1-2H3
InChIKeyGLXNJUJTWDHRMO-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine (CID 62744220) is N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine is Cc1nc(CC(F)(F)F)nc(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is GLXNJUJTWDHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-12(4-3-7-18-11-5-6-11)10(2)20-13(19-9)8-14(15,16)17/h11,18H,3-8H2,1-2H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 287.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]cyclopropanamine is sourced from PubChem (CID 62744220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).