5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine

C18H20F4N4 — CID 170925530

IUPAC5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1nc(NC[C@H]2CCCCN2)ncc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C18H20F4N4/c1-11-15(14-6-5-12(8-16(14)19)18(20,21)22)10-25-17(26-11)24-9-13-4-2-3-7-23-13/h5-6,8,10,13,23H,2-4,7,9H2,1H3,(H,24,25,26)/t13-/m1/s1
InChIKeyFYJCGLOJLSSMIY-CYBMUJFWSA-N
MW368.38 g/mol
LogP4.16
Rot. Bonds4

About 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine

5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 170925530) has the molecular formula C18H20F4N4 and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID170925530
Molecular FormulaC18H20F4N4
Molecular Weight368.38 g/mol
Exact Mass368.16
IUPAC Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1nc(NC[C@H]2CCCCN2)ncc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C18H20F4N4/c1-11-15(14-6-5-12(8-16(14)19)18(20,21)22)10-25-17(26-11)24-9-13-4-2-3-7-23-13/h5-6,8,10,13,23H,2-4,7,9H2,1H3,(H,24,25,26)/t13-/m1/s1
InChIKeyFYJCGLOJLSSMIY-CYBMUJFWSA-N
XLogP4.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine (CID 170925530) is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine is Cc1nc(NC[C@H]2CCCCN2)ncc1-c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is FYJCGLOJLSSMIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F4N4/c1-11-15(14-6-5-12(8-16(14)19)18(20,21)22)10-25-17(26-11)24-9-13-4-2-3-7-23-13/h5-6,8,10,13,23H,2-4,7,9H2,1H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 368.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 170925530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).