8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate

C71H68ClF3N21O5S- — CID 158276372

About 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate

8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate (PubChem CID 158276372) has the molecular formula C71H68ClF3N21O5S- and a molecular weight of 1419.98 g/mol. Its IUPAC name is 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate
• PubChem CID: 158276372
• Molecular Formula: C71H68ClF3N21O5S-
• Molecular Weight: 1419.98 g/mol
• Exact Mass: 1418.51
• IUPAC Name: 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate
• SMILES: C=C(CN)c1cccc2c(C(=O)NC)ncnc12.C=C(CNc1cc(-c2ccc(C)nc2)ncn1)c1cccc2c(C(=O)NC)ncnc12.CNC(=O)c1ncnc2c([C@H](C)CNc3cc(-c4ccc(C)nc4)ncn3)cccc12.Cc1ccc(-c2cc(Cl)ncn2)cn1.O=C([O-])C(F)(F)F.S
• InChI: InChI=1S/C23H23N7O.C23H21N7O.C13H14N4O.C10H8ClN3.C2HF3O2.H2S/c2*1-14(17-5-4-6-18-21(17)29-13-30-22(18)23(31)24-3)10-26-20-9-19(27-12-28-20)16-8-7-15(2)25-11-16;1-8(6-14)9-4-3-5-10-11(9)16-7-17-12(10)13(18)15-2;1-7-2-3-8(5-12-7)9-4-10(11)14-6-13-9;3-2(4,5)1(6)7;/h4-9,11-14H,10H2,1-3H3,(H,24,31)(H,26,27,28);4-9,11-13H,1,10H2,2-3H3,(H,24,31)(H,26,27,28);3-5,7H,1,6,14H2,2H3,(H,15,18);2-6H,1H3;(H,6,7);1H2/p-1/t14-;;;;;/m1...../s1
• InChIKey: PPBZCIQDJQLBGV-NLQDPJAYSA-M
• XLogP: 9.51
• TPSA: 370.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1419.98
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate?

The IUPAC name of 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate (CID 158276372) is 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate.

What is the SMILES notation for 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate?

The canonical SMILES for 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate is C=C(CN)c1cccc2c(C(=O)NC)ncnc12.C=C(CNc1cc(-c2ccc(C)nc2)ncn1)c1cccc2c(C(=O)NC)ncnc12.CNC(=O)c1ncnc2c([C@H](C)CNc3cc(-c4ccc(C)nc4)ncn3)cccc12.Cc1ccc(-c2cc(Cl)ncn2)cn1.O=C([O-])C(F)(F)F.S.

What is the InChIKey of 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate?

The InChIKey is PPBZCIQDJQLBGV-NLQDPJAYSA-M. The full InChI is InChI=1S/C23H23N7O.C23H21N7O.C13H14N4O.C10H8ClN3.C2HF3O2.H2S/c2*1-14(17-5-4-6-18-21(17)29-13-30-22(18)23(31)24-3)10-26-20-9-19(27-12-28-20)16-8-7-15(2)25-11-16;1-8(6-14)9-4-3-5-10-11(9)16-7-17-12(10)13(18)15-2;1-7-2-3-8(5-12-7)9-4-10(11)14-6-13-9;3-2(4,5)1(6)7;/h4-9,11-14H,10H2,1-3H3,(H,24,31)(H,26,27,28);4-9,11-13H,1,10H2,2-3H3,(H,24,31)(H,26,27,28);3-5,7H,1,6,14H2,2H3,(H,15,18);2-6H,1H3;(H,6,7);1H2/p-1/t14-;;;;;/m1...../s1.

What are the key properties of 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate?

8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate has a molecular weight of 1419.98 g/mol, XLogP of 9.51, 16 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-aminoprop-1-en-2-yl)-N-methylquinazoline-4-carboxamide;4-chloro-6-(6-methyl-3-pyridinyl)pyrimidine;N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinazoline-4-carboxamide;N-methyl-8-[3-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]prop-1-en-2-yl]quinazoline-4-carboxamide;sulfane;2,2,2-trifluoroacetate is sourced from PubChem (CID 158276372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).