6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide

C21H25N5O6 — CID 89184521

About 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide

6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 89184521) has the molecular formula C21H25N5O6 and a molecular weight of 443.46 g/mol. Its IUPAC name is 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide
• PubChem CID: 89184521
• Molecular Formula: C21H25N5O6
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.18
• IUPAC Name: 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide
• SMILES: Cc1nc(C(=O)NCc2ccc(=O)n(C)c2)cc(C2=NO[C@H]([C@H]3CO[C@H](CO)CO3)C2)n1
• InChI: InChI=1S/C21H25N5O6/c1-12-23-15(16-6-18(32-25-16)19-11-30-14(9-27)10-31-19)5-17(24-12)21(29)22-7-13-3-4-20(28)26(2)8-13/h3-5,8,14,18-19,27H,6-7,9-11H2,1-2H3,(H,22,29)/t14-,18+,19-/m1/s1
• InChIKey: GZCMGMNLXWDGNB-MDASCCDHSA-N
• XLogP: -0.32
• TPSA: 137.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 89184521) is 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(=O)n(C)c2)cc(C2=NO[C@H]([C@H]3CO[C@H](CO)CO3)C2)n1.

What is the InChIKey of 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide?

The InChIKey is GZCMGMNLXWDGNB-MDASCCDHSA-N. The full InChI is InChI=1S/C21H25N5O6/c1-12-23-15(16-6-18(32-25-16)19-11-30-14(9-27)10-31-19)5-17(24-12)21(29)22-7-13-3-4-20(28)26(2)8-13/h3-5,8,14,18-19,27H,6-7,9-11H2,1-2H3,(H,22,29)/t14-,18+,19-/m1/s1.

What are the key properties of 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide?

6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 443.46 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89184521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).