(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C15H14ClF3N4O — CID 89284882

IUPAC(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Nc1cc(-c2ccccc2)nc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H14ClF3N4O/c1-9(13(24)20-8-15(17,18)19)21-12-7-11(22-14(16)23-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,20,24)(H,21,22,23)/t9-/m0/s1
InChIKeyIPDXCDJUVBHSCL-VIFPVBQESA-N
MW358.75 g/mol
LogP3.28
Rot. Bonds5

About (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 89284882) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID89284882
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Nc1cc(-c2ccccc2)nc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H14ClF3N4O/c1-9(13(24)20-8-15(17,18)19)21-12-7-11(22-14(16)23-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,20,24)(H,21,22,23)/t9-/m0/s1
InChIKeyIPDXCDJUVBHSCL-VIFPVBQESA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 115914717
2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570045
2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 91357808
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 167869821
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106768280
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82460895
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 89284882) is (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](Nc1cc(-c2ccccc2)nc(Cl)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IPDXCDJUVBHSCL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-9(13(24)20-8-15(17,18)19)21-12-7-11(22-14(16)23-12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,20,24)(H,21,22,23)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 358.75 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 89284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).