1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine

C14H14F3N3 — CID 62744529

IUPAC1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-7(18)3-10-4-8(2)19-14(20-10)9-5-11(15)13(17)12(16)6-9/h4-7H,3,18H2,1-2H3
InChIKeyKQYHXWMJQJOMEQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.76
Rot. Bonds3

About 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine

1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 62744529) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine
PubChem CID62744529
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-7(18)3-10-4-8(2)19-14(20-10)9-5-11(15)13(17)12(16)6-9/h4-7H,3,18H2,1-2H3
InChIKeyKQYHXWMJQJOMEQ-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine (CID 62744529) is 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine is Cc1cc(CC(C)N)nc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is KQYHXWMJQJOMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-7(18)3-10-4-8(2)19-14(20-10)9-5-11(15)13(17)12(16)6-9/h4-7H,3,18H2,1-2H3.
What are the key properties of 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine?
1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 281.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 62744529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).