N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine

C14H22F3N3 — CID 79964173

IUPACN-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3/c1-4-8-18-9-6-12-10(2)19-13(20-11(12)3)5-7-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyJIBQPVLIOTZALX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 79964173) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID79964173
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC NameN-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3/c1-4-8-18-9-6-12-10(2)19-13(20-11(12)3)5-7-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyJIBQPVLIOTZALX-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.13
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-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 79964173) is N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(CCC(F)(F)F)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is JIBQPVLIOTZALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-4-8-18-9-6-12-10(2)19-13(20-11(12)3)5-7-14(15,16)17/h18H,4-9H2,1-3H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.13, 7 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-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79964173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).