2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

C14H16F3N5 — CID 129351066

IUPAC2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H16F3N5/c1-21-9-11(14(15,16)17)20-12(21)10-4-2-7-22(8-10)13-18-5-3-6-19-13/h3,5-6,9-10H,2,4,7-8H2,1H3/t10-/m1/s1
InChIKeyOMBNJSKIKUEQHR-SNVBAGLBSA-N
MW311.31 g/mol
LogP2.61
Rot. Bonds2

About 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 129351066) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID129351066
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H16F3N5/c1-21-9-11(14(15,16)17)20-12(21)10-4-2-7-22(8-10)13-18-5-3-6-19-13/h3,5-6,9-10H,2,4,7-8H2,1H3/t10-/m1/s1
InChIKeyOMBNJSKIKUEQHR-SNVBAGLBSA-N
XLogP2.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 129351066) is 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is OMBNJSKIKUEQHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-21-9-11(14(15,16)17)20-12(21)10-4-2-7-22(8-10)13-18-5-3-6-19-13/h3,5-6,9-10H,2,4,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 129351066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).