N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane

C108H127BrCl2N26O19 — CID 159778485

About N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane (PubChem CID 159778485) has the molecular formula C108H127BrCl2N26O19 and a molecular weight of 2244.18 g/mol. Its IUPAC name is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane.

Molecular Properties

• Compound Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane
• PubChem CID: 159778485
• Molecular Formula: C108H127BrCl2N26O19
• Molecular Weight: 2244.18 g/mol
• Exact Mass: 2240.83
• IUPAC Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Cl)ncn1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(NC(=O)C2CC2)ncn1.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.COc1ccc(CN2Cc3cc(Nc4cc(NC(=O)C5CC5)ncn4)ccc3C2=O)cc1.NC(=O)C1CC1.Nc1cc(Cl)ncn1.Nc1cc(NC(=O)C2CC2)ncn1.O=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21
• InChI: InChI=1S/C24H23N5O3.C18H26N4O5.C16H14BrNO2.C16H15N5O2.C14H20ClN3O4.C8H10N4O.C4H4ClN3.C4H7NO.C4H8O/c1-32-19-7-2-15(3-8-19)12-29-13-17-10-18(6-9-20(17)24(29)31)27-21-11-22(26-14-25-21)28-23(30)16-4-5-16;1-17(2,3)26-15(24)22(16(25)27-18(4,5)6)13-9-12(19-10-20-13)21-14(23)11-7-8-11;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23;1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-7-9(15)16-8-17-10;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;5-3-1-4(6)8-2-7-3;5-4(6)3-1-2-3;1-2-4-5-3-1/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H2,25,26,27,28,30);9-11H,7-8H2,1-6H3,(H,19,20,21,23);2-8H,9-10H2,1H3;3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22);7-8H,1-6H3;3-5H,1-2H2,(H3,9,10,11,12,13);1-2H,(H2,6,7,8);3H,1-2H2,(H2,5,6);1-4H2
• InChIKey: NHAXXZHYIZIRAV-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 599.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.18
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane?

The IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane (CID 159778485) is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane.

What is the SMILES notation for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane?

The canonical SMILES for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane is C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Cl)ncn1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(NC(=O)C2CC2)ncn1.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.COc1ccc(CN2Cc3cc(Nc4cc(NC(=O)C5CC5)ncn4)ccc3C2=O)cc1.NC(=O)C1CC1.Nc1cc(Cl)ncn1.Nc1cc(NC(=O)C2CC2)ncn1.O=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21.

What is the InChIKey of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane?

The InChIKey is NHAXXZHYIZIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3.C18H26N4O5.C16H14BrNO2.C16H15N5O2.C14H20ClN3O4.C8H10N4O.C4H4ClN3.C4H7NO.C4H8O/c1-32-19-7-2-15(3-8-19)12-29-13-17-10-18(6-9-20(17)24(29)31)27-21-11-22(26-14-25-21)28-23(30)16-4-5-16;1-17(2,3)26-15(24)22(16(25)27-18(4,5)6)13-9-12(19-10-20-13)21-14(23)11-7-8-11;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23;1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-7-9(15)16-8-17-10;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;5-3-1-4(6)8-2-7-3;5-4(6)3-1-2-3;1-2-4-5-3-1/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H2,25,26,27,28,30);9-11H,7-8H2,1-6H3,(H,19,20,21,23);2-8H,9-10H2,1H3;3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22);7-8H,1-6H3;3-5H,1-2H2,(H3,9,10,11,12,13);1-2H,(H2,6,7,8);3H,1-2H2,(H2,5,6);1-4H2.

What are the key properties of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane?

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane has a molecular weight of 2244.18 g/mol, XLogP of 18.27, 21 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-chloropyrimidin-4-amine;cyclopropanecarboxamide;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane is sourced from PubChem (CID 159778485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).