(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid

C9H10F3N3O2 — CID 122049909

IUPAC(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
SMILESCc1cc(C(F)(F)F)nc(N[C@H](C)C(=O)O)n1
InChIInChI=1S/C9H10F3N3O2/c1-4-3-6(9(10,11)12)15-8(13-4)14-5(2)7(16)17/h3,5H,1-2H3,(H,16,17)(H,13,14,15)/t5-/m1/s1
InChIKeyNJGQMMRVZDYJGG-RXMQYKEDSA-N
MW249.19 g/mol
LogP1.69
Rot. Bonds3

About (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid

(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid (PubChem CID 122049909) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
PubChem CID122049909
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
SMILESCc1cc(C(F)(F)F)nc(N[C@H](C)C(=O)O)n1
InChIInChI=1S/C9H10F3N3O2/c1-4-3-6(9(10,11)12)15-8(13-4)14-5(2)7(16)17/h3,5H,1-2H3,(H,16,17)(H,13,14,15)/t5-/m1/s1
InChIKeyNJGQMMRVZDYJGG-RXMQYKEDSA-N
XLogP1.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid
CID 6935115
4-methyl-N-[1-(1-methylsulfonylcyclopropyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 154735877
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
1,5-dimethyl-N-[(3S)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]pyrazole-4-carboxamide
CID 138007482
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 79868853
(2S)-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propanoic acid
CID 72705402
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
2-amino-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylcarbamoylamino]butanoic acid
CID 67154320
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid (CID 122049909) is (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid is Cc1cc(C(F)(F)F)nc(N[C@H](C)C(=O)O)n1.
What is the InChIKey of (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid?
The InChIKey is NJGQMMRVZDYJGG-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-4-3-6(9(10,11)12)15-8(13-4)14-5(2)7(16)17/h3,5H,1-2H3,(H,16,17)(H,13,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid?
(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid is sourced from PubChem (CID 122049909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).