2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine

C123H133N29O7S — CID 160835581

About 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine

2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 160835581) has the molecular formula C123H133N29O7S and a molecular weight of 2161.68 g/mol. Its IUPAC name is 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 160835581
• Molecular Formula: C123H133N29O7S
• Molecular Weight: 2161.68 g/mol
• Exact Mass: 2160.07
• IUPAC Name: 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2coc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)n2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1nc(-c2cccnc2)no1.CCCN(C)C(=O)c1cccc2c1CN=C2C(C)(c1ccc(-c2cnc(N)nc2)cc1)C(C)C.CN(C)C(=O)Cn1cc(-c2coc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)n2)cn1.COc1cncc(-c2ccc(C(c3ncc(-c4cnc(N)nc4)s3)C(C)C)cc2)c1
• InChI: InChI=1S/C28H33N5O.C25H27N7O2.C25H28N6O2.C23H23N5OS.C22H22N6O/c1-6-14-33(5)26(34)23-9-7-8-22-24(23)17-30-25(22)28(4,18(2)3)21-12-10-19(11-13-21)20-15-31-27(29)32-16-20;1-25(20-8-9-20,19-6-4-16(5-7-19)17-10-27-24(26)28-11-17)23-30-21(15-34-23)18-12-29-32(13-18)14-22(33)31(2)3;1-24(2,32)15-31-13-18(12-29-31)21-14-33-22(30-21)25(3,20-8-9-20)19-6-4-16(5-7-19)17-10-27-23(26)28-11-17;1-14(2)21(22-26-13-20(30-22)18-10-27-23(24)28-11-18)16-6-4-15(5-7-16)17-8-19(29-3)12-25-9-17;1-14(2)22(3,20-27-19(28-29-20)16-5-4-10-24-11-16)18-8-6-15(7-9-18)17-12-25-21(23)26-13-17/h7-13,15-16,18H,6,14,17H2,1-5H3,(H2,29,31,32);4-7,10-13,15,20H,8-9,14H2,1-3H3,(H2,26,27,28);4-7,10-14,20,32H,8-9,15H2,1-3H3,(H2,26,27,28);4-14,21H,1-3H3,(H2,24,27,28);4-14H,1-3H3,(H2,23,25,26)/t;;25-;;/m..1../s1
• InChIKey: SHJFOINOEUYPBD-NVMYNABDSA-N
• XLogP: 21.74
• TPSA: 506.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.68
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine (CID 160835581) is 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2coc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)n2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1nc(-c2cccnc2)no1.CCCN(C)C(=O)c1cccc2c1CN=C2C(C)(c1ccc(-c2cnc(N)nc2)cc1)C(C)C.CN(C)C(=O)Cn1cc(-c2coc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)n2)cn1.COc1cncc(-c2ccc(C(c3ncc(-c4cnc(N)nc4)s3)C(C)C)cc2)c1.

What is the InChIKey of 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is SHJFOINOEUYPBD-NVMYNABDSA-N. The full InChI is InChI=1S/C28H33N5O.C25H27N7O2.C25H28N6O2.C23H23N5OS.C22H22N6O/c1-6-14-33(5)26(34)23-9-7-8-22-24(23)17-30-25(22)28(4,18(2)3)21-12-10-19(11-13-21)20-15-31-27(29)32-16-20;1-25(20-8-9-20,19-6-4-16(5-7-19)17-10-27-24(26)28-11-17)23-30-21(15-34-23)18-12-29-32(13-18)14-22(33)31(2)3;1-24(2,32)15-31-13-18(12-29-31)21-14-33-22(30-21)25(3,20-8-9-20)19-6-4-16(5-7-19)17-10-27-23(26)28-11-17;1-14(2)21(22-26-13-20(30-22)18-10-27-23(24)28-11-18)16-6-4-15(5-7-16)17-8-19(29-3)12-25-9-17;1-14(2)22(3,20-27-19(28-29-20)16-5-4-10-24-11-16)18-8-6-15(7-9-18)17-12-25-21(23)26-13-17/h7-13,15-16,18H,6,14,17H2,1-5H3,(H2,29,31,32);4-7,10-13,15,20H,8-9,14H2,1-3H3,(H2,26,27,28);4-7,10-14,20,32H,8-9,15H2,1-3H3,(H2,26,27,28);4-14,21H,1-3H3,(H2,24,27,28);4-14H,1-3H3,(H2,23,25,26)/t;;25-;;/m..1../s1.

What are the key properties of 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2161.68 g/mol, XLogP of 21.74, 32 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 160835581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).