1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane

C52H72N10O9 — CID 144708107

About 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane

1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane (PubChem CID 144708107) has the molecular formula C52H72N10O9 and a molecular weight of 981.21 g/mol. Its IUPAC name is 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane.

Molecular Properties

• Compound Name: 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane
• PubChem CID: 144708107
• Molecular Formula: C52H72N10O9
• Molecular Weight: 981.21 g/mol
• Exact Mass: 980.55
• IUPAC Name: 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane
• SMILES: C1CCOC1.CC.CNCC(O)COc1cccc(-c2nc(C(=O)NCC3CCOCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(N)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C26H33N5O5.C20H25N5O3.C4H8O.C2H6/c1-16-24(17(2)36-31-16)22-12-23(26(33)28-13-18-7-9-34-10-8-18)30-25(29-22)19-5-4-6-21(11-19)35-15-20(32)14-27-3;1-11-18(17-12(2)25-28-13(17)3)23-20(24-19(11)21)14-6-5-7-16(8-14)27-10-15(26)9-22-4;1-2-4-5-3-1;1-2/h4-6,11-12,18,20,27,32H,7-10,13-15H2,1-3H3,(H,28,33);5-8,15,22,26H,9-10H2,1-4H3,(H2,21,23,24);1-4H2;1-2H3
• InChIKey: BLMJJIMEYUFRFQ-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 260.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	981.21
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane?

The IUPAC name of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane (CID 144708107) is 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane.

What is the SMILES notation for 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane?

The canonical SMILES for 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane is C1CCOC1.CC.CNCC(O)COc1cccc(-c2nc(C(=O)NCC3CCOCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(N)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane?

The InChIKey is BLMJJIMEYUFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5.C20H25N5O3.C4H8O.C2H6/c1-16-24(17(2)36-31-16)22-12-23(26(33)28-13-18-7-9-34-10-8-18)30-25(29-22)19-5-4-6-21(11-19)35-15-20(32)14-27-3;1-11-18(17-12(2)25-28-13(17)3)23-20(24-19(11)21)14-6-5-7-16(8-14)27-10-15(26)9-22-4;1-2-4-5-3-1;1-2/h4-6,11-12,18,20,27,32H,7-10,13-15H2,1-3H3,(H,28,33);5-8,15,22,26H,9-10H2,1-4H3,(H2,21,23,24);1-4H2;1-2H3.

What are the key properties of 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane?

1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane has a molecular weight of 981.21 g/mol, XLogP of 6.62, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;ethane;oxolane is sourced from PubChem (CID 144708107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).