6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

C20H27N7O4 — CID 118611184

About 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 118611184) has the molecular formula C20H27N7O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
• PubChem CID: 118611184
• Molecular Formula: C20H27N7O4
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.21
• IUPAC Name: 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
• SMILES: CC(=O)N1CC(Nc2cc(C(=O)NCC(O)CN3CCc4oc(C)nc4C3)ncn2)C1
• InChI: InChI=1S/C20H27N7O4/c1-12-24-17-10-26(4-3-18(17)31-12)9-15(29)6-21-20(30)16-5-19(23-11-22-16)25-14-7-27(8-14)13(2)28/h5,11,14-15,29H,3-4,6-10H2,1-2H3,(H,21,30)(H,22,23,25)
• InChIKey: XJGGFDBIQPBFFB-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 136.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (CID 118611184) is 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is CC(=O)N1CC(Nc2cc(C(=O)NCC(O)CN3CCc4oc(C)nc4C3)ncn2)C1.

What is the InChIKey of 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

The InChIKey is XJGGFDBIQPBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O4/c1-12-24-17-10-26(4-3-18(17)31-12)9-15(29)6-21-20(30)16-5-19(23-11-22-16)25-14-7-27(8-14)13(2)28/h5,11,14-15,29H,3-4,6-10H2,1-2H3,(H,21,30)(H,22,23,25).

What are the key properties of 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118611184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).