3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride

C10H10ClF3N4O3 — CID 67103401

IUPAC3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride
SMILESCN1C(=O)N(c2cc(C(F)(F)F)ncn2)CC1C(=O)O.Cl
InChIInChI=1S/C10H9F3N4O3.ClH/c1-16-5(8(18)19)3-17(9(16)20)7-2-6(10(11,12)13)14-4-15-7;/h2,4-5H,3H2,1H3,(H,18,19);1H
InChIKeyBOPNSHYXMFFPBJ-UHFFFAOYSA-N
MW326.66 g/mol
LogP1.24
Rot. Bonds2

About 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride

3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride (PubChem CID 67103401) has the molecular formula C10H10ClF3N4O3 and a molecular weight of 326.66 g/mol. Its IUPAC name is 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride
PubChem CID67103401
Molecular FormulaC10H10ClF3N4O3
Molecular Weight326.66 g/mol
Exact Mass326.04
IUPAC Name3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride
SMILESCN1C(=O)N(c2cc(C(F)(F)F)ncn2)CC1C(=O)O.Cl
InChIInChI=1S/C10H9F3N4O3.ClH/c1-16-5(8(18)19)3-17(9(16)20)7-2-6(10(11,12)13)14-4-15-7;/h2,4-5H,3H2,1H3,(H,18,19);1H
InChIKeyBOPNSHYXMFFPBJ-UHFFFAOYSA-N
XLogP1.24
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.66
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aS)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 97377895
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946105
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one
CID 135130140
2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 77493963
5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154566577
(2-methylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631552
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 68718129

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride (CID 67103401) is 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride is CN1C(=O)N(c2cc(C(F)(F)F)ncn2)CC1C(=O)O.Cl.
What is the InChIKey of 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is BOPNSHYXMFFPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3.ClH/c1-16-5(8(18)19)3-17(9(16)20)7-2-6(10(11,12)13)14-4-15-7;/h2,4-5H,3H2,1H3,(H,18,19);1H.
What are the key properties of 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride?
3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 326.66 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67103401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).