N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

C22H29N5O4 — CID 164633355

About N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (PubChem CID 164633355) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 164633355
• Molecular Formula: C22H29N5O4
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.22
• IUPAC Name: N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
• SMILES: CC(C)c1cc(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)nc(N)n1
• InChI: InChI=1S/C22H29N5O4/c1-14(2)16-12-17(26-21(23)25-16)20(29)27-9-7-22(8-10-27)6-5-15(31-22)13-24-19(28)18-4-3-11-30-18/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,28)(H2,23,25,26)/t15-/m1/s1
• InChIKey: WOWMGYAMHTZXSA-OAHLLOKOSA-N
• XLogP: 2.36
• TPSA: 123.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (CID 164633355) is N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is CC(C)c1cc(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)nc(N)n1.

What is the InChIKey of N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

The InChIKey is WOWMGYAMHTZXSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-14(2)16-12-17(26-21(23)25-16)20(29)27-9-7-22(8-10-27)6-5-15(31-22)13-24-19(28)18-4-3-11-30-18/h3-4,11-12,14-15H,5-10,13H2,1-2H3,(H,24,28)(H2,23,25,26)/t15-/m1/s1.

What are the key properties of N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 164633355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).