ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine

C66H75F5N14O6 — CID 142869221

About ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine

ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 142869221) has the molecular formula C66H75F5N14O6 and a molecular weight of 1255.41 g/mol. Its IUPAC name is ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 142869221
• Molecular Formula: C66H75F5N14O6
• Molecular Weight: 1255.41 g/mol
• Exact Mass: 1254.59
• IUPAC Name: ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine
• SMILES: C=C(C)/N=C(\C=C/C)c1cc2cc(C(=O)N[C@@H](CN(c3ccccc3)c3nccc(C(C)(F)F)n3)C(=O)OC)ccc2[nH]1.CC.CC.CC.CN(c1ccccc1)c1nccc(C(F)(F)F)n1.CNc1nccc(-c2cc3cc(C(=O)NCC(=O)O)ccc3[nH]2)n1
• InChI: InChI=1S/C32H32F2N6O3.C16H15N5O3.C12H10F3N3.3C2H6/c1-6-10-25(36-20(2)3)26-18-22-17-21(13-14-24(22)37-26)29(41)38-27(30(42)43-5)19-40(23-11-8-7-9-12-23)31-35-16-15-28(39-31)32(4,33)34;1-17-16-18-5-4-12(21-16)13-7-10-6-9(2-3-11(10)20-13)15(24)19-8-14(22)23;1-18(9-5-3-2-4-6-9)11-16-8-7-10(17-11)12(13,14)15;3*1-2/h6-18,27,37H,2,19H2,1,3-5H3,(H,38,41);2-7,20H,8H2,1H3,(H,19,24)(H,22,23)(H,17,18,21);2-8H,1H3;3*1-2H3/b10-6-,36-25+;;;;;/t27-;;;;;/m0...../s1
• InChIKey: UIHLMDZZJKSILH-SXEBIHEPSA-N
• XLogP: 13.90
• TPSA: 261.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1255.41
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 142869221) is ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine is C=C(C)/N=C(\C=C/C)c1cc2cc(C(=O)N[C@@H](CN(c3ccccc3)c3nccc(C(C)(F)F)n3)C(=O)OC)ccc2[nH]1.CC.CC.CC.CN(c1ccccc1)c1nccc(C(F)(F)F)n1.CNc1nccc(-c2cc3cc(C(=O)NCC(=O)O)ccc3[nH]2)n1.

What is the InChIKey of ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is UIHLMDZZJKSILH-SXEBIHEPSA-N. The full InChI is InChI=1S/C32H32F2N6O3.C16H15N5O3.C12H10F3N3.3C2H6/c1-6-10-25(36-20(2)3)26-18-22-17-21(13-14-24(22)37-26)29(41)38-27(30(42)43-5)19-40(23-11-8-7-9-12-23)31-35-16-15-28(39-31)32(4,33)34;1-17-16-18-5-4-12(21-16)13-7-10-6-9(2-3-11(10)20-13)15(24)19-8-14(22)23;1-18(9-5-3-2-4-6-9)11-16-8-7-10(17-11)12(13,14)15;3*1-2/h6-18,27,37H,2,19H2,1,3-5H3,(H,38,41);2-7,20H,8H2,1H3,(H,19,24)(H,22,23)(H,17,18,21);2-8H,1H3;3*1-2H3/b10-6-,36-25+;;;;;/t27-;;;;;/m0...../s1.

What are the key properties of ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine?

ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1255.41 g/mol, XLogP of 13.90, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]acetic acid;methyl (2S)-3-(N-[4-(1,1-difluoroethyl)pyrimidin-2-yl]anilino)-2-[[2-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-indole-5-carbonyl]amino]propanoate;N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 142869221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).