2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol

C121H128F8N26O7 — CID 159745105

About 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol

2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol (PubChem CID 159745105) has the molecular formula C121H128F8N26O7 and a molecular weight of 2210.51 g/mol. Its IUPAC name is 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol.

Molecular Properties

• Compound Name: 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol
• PubChem CID: 159745105
• Molecular Formula: C121H128F8N26O7
• Molecular Weight: 2210.51 g/mol
• Exact Mass: 2209.03
• IUPAC Name: 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol
• SMILES: C/C=C/C1=CC(Nc2cc(N(C)C)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CO)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N(C)CCN(C)C)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NCCO)cc(NC4=NCC(C5CC5)=C4)n3)cc(F)c2C1.CCc1cc(NC2=NCC(C3CC3)=C2)nc(Oc2cc(F)c3c(c2F)C=C(C)C3)n1
• InChI: InChI=1S/C26H30F2N6O.C26H29FN6O2.C23H23F2N5O2.C23H22F2N4O.C23H24FN5O/c1-15-9-18-19(10-15)25(28)21(12-20(18)27)35-26-31-23(13-24(32-26)34(4)8-7-33(2)3)30-22-11-17(14-29-22)16-5-6-16;1-3-4-18-13-22(28-15-18)29-23-14-24(33-9-7-32(16-34)8-10-33)31-26(30-23)35-21-6-5-19-11-17(2)12-20(19)25(21)27;1-12-6-15-16(7-12)22(25)18(9-17(15)24)32-23-29-20(26-4-5-31)10-21(30-23)28-19-8-14(11-27-19)13-2-3-13;1-3-15-9-21(28-20-8-14(11-26-20)13-4-5-13)29-23(27-15)30-19-10-18(24)16-6-12(2)7-17(16)22(19)25;1-5-6-15-11-19(25-13-15)26-20-12-21(29(3)4)28-23(27-20)30-18-8-7-16-9-14(2)10-17(16)22(18)24/h10-13,16H,5-9,14H2,1-4H3,(H,29,30,31,32);3-6,12-14,34H,7-11,15-16H2,1-2H3,(H,28,29,30,31);7-10,13,31H,2-6,11H2,1H3,(H2,26,27,28,29,30);7-10,13H,3-6,11H2,1-2H3,(H,26,27,28,29);5-8,10-12H,9,13H2,1-4H3,(H,25,26,27,28)/b;4-3+;;;6-5+
• InChIKey: NCYGGSHVNDHMOK-PCGITANNSA-N
• XLogP: 22.49
• TPSA: 365.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.51
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol?

The IUPAC name of 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol (CID 159745105) is 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol.

What is the SMILES notation for 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol?

The canonical SMILES for 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol is C/C=C/C1=CC(Nc2cc(N(C)C)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CO)CC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N(C)CCN(C)C)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NCCO)cc(NC4=NCC(C5CC5)=C4)n3)cc(F)c2C1.CCc1cc(NC2=NCC(C3CC3)=C2)nc(Oc2cc(F)c3c(c2F)C=C(C)C3)n1.

What is the InChIKey of 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol?

The InChIKey is NCYGGSHVNDHMOK-PCGITANNSA-N. The full InChI is InChI=1S/C26H30F2N6O.C26H29FN6O2.C23H23F2N5O2.C23H22F2N4O.C23H24FN5O/c1-15-9-18-19(10-15)25(28)21(12-20(18)27)35-26-31-23(13-24(32-26)34(4)8-7-33(2)3)30-22-11-17(14-29-22)16-5-6-16;1-3-4-18-13-22(28-15-18)29-23-14-24(33-9-7-32(16-34)8-10-33)31-26(30-23)35-21-6-5-19-11-17(2)12-20(19)25(21)27;1-12-6-15-16(7-12)22(25)18(9-17(15)24)32-23-29-20(26-4-5-31)10-21(30-23)28-19-8-14(11-27-19)13-2-3-13;1-3-15-9-21(28-20-8-14(11-26-20)13-4-5-13)29-23(27-15)30-19-10-18(24)16-6-12(2)7-17(16)22(19)25;1-5-6-15-11-19(25-13-15)26-20-12-21(29(3)4)28-23(27-20)30-18-8-7-16-9-14(2)10-17(16)22(18)24/h10-13,16H,5-9,14H2,1-4H3,(H,29,30,31,32);3-6,12-14,34H,7-11,15-16H2,1-2H3,(H,28,29,30,31);7-10,13,31H,2-6,11H2,1H3,(H2,26,27,28,29,30);7-10,13H,3-6,11H2,1-2H3,(H,26,27,28,29);5-8,10-12H,9,13H2,1-4H3,(H,25,26,27,28)/b;4-3+;;;6-5+.

What are the key properties of 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol?

2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol has a molecular weight of 2210.51 g/mol, XLogP of 22.49, 31 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]ethanol;6-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-4,6-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-ethylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;[4-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]methanol is sourced from PubChem (CID 159745105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).