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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol

C122H129F8N25O7 — CID 158242325

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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 158242325) has the molecular formula C122H129F8N25O7 and a molecular weight of 2209.53 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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol
• PubChem CID: 158242325
• Molecular Formula: C122H129F8N25O7
• Molecular Weight: 2209.53 g/mol
• Exact Mass: 2208.04
• 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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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(N3CCC(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/C27H30FN5O2.C26H30F2N6O.C23H23F2N5O2.C23H22F2N4O.C23H24FN5O/c1-3-4-19-13-23(29-15-19)30-24-14-25(33-9-7-18(16-34)8-10-33)32-27(31-24)35-22-6-5-20-11-17(2)12-21(20)26(22)28;1-15-9-18-19(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;1-12-6-15-16(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/h3-6,12-14,18,34H,7-11,15-16H2,1-2H3,(H,29,30,31,32);10-13,16H,5-9,14H2,1-4H3,(H,29,30,31,32);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)/b4-3+;;;;6-5+
• InChIKey: GFRRQQNURRKILY-HYXNCHMLSA-N
• XLogP: 23.63
• TPSA: 362.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2209.53
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 158242325) 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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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(N3CCC(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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol?

The InChIKey is GFRRQQNURRKILY-HYXNCHMLSA-N. The full InChI is InChI=1S/C27H30FN5O2.C26H30F2N6O.C23H23F2N5O2.C23H22F2N4O.C23H24FN5O/c1-3-4-19-13-23(29-15-19)30-24-14-25(33-9-7-18(16-34)8-10-33)32-27(31-24)35-22-6-5-20-11-17(2)12-21(20)26(22)28;1-15-9-18-19(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;1-12-6-15-16(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/h3-6,12-14,18,34H,7-11,15-16H2,1-2H3,(H,29,30,31,32);10-13,16H,5-9,14H2,1-4H3,(H,29,30,31,32);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)/b4-3+;;;;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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 2209.53 g/mol, XLogP of 23.63, 31 rotatable bonds, 8 hydrogen bond donors, and 32 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;[1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 158242325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).