N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine

C13H20F3N3 — CID 55114012

IUPACN-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3/c1-4-6-17-7-5-11-9(2)18-12(19-10(11)3)8-13(14,15)16/h17H,4-8H2,1-3H3
InChIKeyDCPTYWMMSLAMEW-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 55114012) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID55114012
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3/c1-4-6-17-7-5-11-9(2)18-12(19-10(11)3)8-13(14,15)16/h17H,4-8H2,1-3H3
InChIKeyDCPTYWMMSLAMEW-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.74
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-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 55114012) is N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is DCPTYWMMSLAMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-4-6-17-7-5-11-9(2)18-12(19-10(11)3)8-13(14,15)16/h17H,4-8H2,1-3H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 55114012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).