(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

C8H8F3N3O2 — CID 136911592

IUPAC(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)N[C@@H](C(F)(F)F)CC2
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)5-1-2-14-3-4(6(15)16)12-7(14)13-5/h3,5H,1-2H2,(H,12,13)(H,15,16)/t5-/m1/s1
InChIKeyKTBCVCPLDDWUIT-RXMQYKEDSA-N
MW235.16 g/mol
LogP1.33
Rot. Bonds1

About (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 136911592) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID136911592
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)N[C@@H](C(F)(F)F)CC2
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)5-1-2-14-3-4(6(15)16)12-7(14)13-5/h3,5H,1-2H2,(H,12,13)(H,15,16)/t5-/m1/s1
InChIKeyKTBCVCPLDDWUIT-RXMQYKEDSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 136911597
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 83966379
6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 136688043
6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
CID 167414141
(5R)-5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 136911595
7-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710023
lithium;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylic acid;hydride
CID 174674138
5,8-dihydroimidazo[1,2-a]pyrazine-2-carboxylic acid
CID 176761340
5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 135625420
6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxylic acid
CID 138663430
N-(4-hydroxycyclohexyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878687
6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 138646171

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 136911592) is (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(n1)N[C@@H](C(F)(F)F)CC2.
What is the InChIKey of (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is KTBCVCPLDDWUIT-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)5-1-2-14-3-4(6(15)16)12-7(14)13-5/h3,5H,1-2H2,(H,12,13)(H,15,16)/t5-/m1/s1.
What are the key properties of (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 136911592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).