5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C₂₄H₃₀N₆O₄ — CID 155590542

About 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 155590542) has the molecular formula C₂₄H₃₀N₆O₄ and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 155590542
• Molecular Formula: C₂₄H₃₀N₆O₄
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: COc1c(C(=O)Nc2cnoc2)nc(N(C)C(c2ccccc2)C2CCN(C)CC2)n(C)c1=O
• InChI: InChI=1S/C24H30N6O4/c1-28-12-10-17(11-13-28)20(16-8-6-5-7-9-16)29(2)24-27-19(21(33-4)23(32)30(24)3)22(31)26-18-14-25-34-15-18/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,26,31)
• InChIKey: UCQRAXMKWKFWAS-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 155590542) is 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is COc1c(C(=O)Nc2cnoc2)nc(N(C)C(c2ccccc2)C2CCN(C)CC2)n(C)c1=O.

What is the InChIKey of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is UCQRAXMKWKFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-28-12-10-17(11-13-28)20(16-8-6-5-7-9-16)29(2)24-27-19(21(33-4)23(32)30(24)3)22(31)26-18-14-25-34-15-18/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,26,31).

What are the key properties of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 155590542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155590542 — identifiers, structure, computed properties (public domain)

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