N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine

C12H18F3N3 — CID 64586268

IUPACN,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
SMILESCNC(Cc1nccc(C(F)(F)F)n1)C(C)(C)C
InChIInChI=1S/C12H18F3N3/c1-11(2,3)9(16-4)7-10-17-6-5-8(18-10)12(13,14)15/h5-6,9,16H,7H2,1-4H3
InChIKeyLSMFHXXQVMSJRC-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.67
Rot. Bonds3

About N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine

N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine (PubChem CID 64586268) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
PubChem CID64586268
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine
SMILESCNC(Cc1nccc(C(F)(F)F)n1)C(C)(C)C
InChIInChI=1S/C12H18F3N3/c1-11(2,3)9(16-4)7-10-17-6-5-8(18-10)12(13,14)15/h5-6,9,16H,7H2,1-4H3
InChIKeyLSMFHXXQVMSJRC-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine (CID 64586268) is N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine is CNC(Cc1nccc(C(F)(F)F)n1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
The InChIKey is LSMFHXXQVMSJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-11(2,3)9(16-4)7-10-17-6-5-8(18-10)12(13,14)15/h5-6,9,16H,7H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine?
N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 64586268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).