6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine

C11H15F3N4 — CID 118549810

IUPAC6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CN([C@@H](C)C(F)(F)F)C2)ncn1
InChIInChI=1S/C11H15F3N4/c1-7-3-10(16-6-15-7)17-9-4-18(5-9)8(2)11(12,13)14/h3,6,8-9H,4-5H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyJXELDIGUFZLNHB-QMMMGPOBSA-N
MW260.26 g/mol
LogP1.83
Rot. Bonds3

About 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine

6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine (PubChem CID 118549810) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine
PubChem CID118549810
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CN([C@@H](C)C(F)(F)F)C2)ncn1
InChIInChI=1S/C11H15F3N4/c1-7-3-10(16-6-15-7)17-9-4-18(5-9)8(2)11(12,13)14/h3,6,8-9H,4-5H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyJXELDIGUFZLNHB-QMMMGPOBSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine (CID 118549810) is 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine is Cc1cc(NC2CN([C@@H](C)C(F)(F)F)C2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is JXELDIGUFZLNHB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-3-10(16-6-15-7)17-9-4-18(5-9)8(2)11(12,13)14/h3,6,8-9H,4-5H2,1-2H3,(H,15,16,17)/t8-/m0/s1.
What are the key properties of 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine?
6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 260.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118549810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).