3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C18H25N5O4 — CID 54735126

About 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735126) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
• PubChem CID: 54735126
• Molecular Formula: C18H25N5O4
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.19
• IUPAC Name: 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
• SMILES: Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)nn1C(C)C
• InChI: InChI=1S/C18H25N5O4/c1-10(2)23-11(3)8-12(21-23)9-19-15(25)13-14(24)16(26)22-6-7-27-18(4,5)17(22)20-13/h8,10,24H,6-7,9H2,1-5H3,(H,19,25)
• InChIKey: GJDFHNGIEWDFMF-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 111.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

The IUPAC name of 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735126) is 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

What is the SMILES notation for 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

The canonical SMILES for 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)nn1C(C)C.

What is the InChIKey of 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

The InChIKey is GJDFHNGIEWDFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-10(2)23-11(3)8-12(21-23)9-19-15(25)13-14(24)16(26)22-6-7-27-18(4,5)17(22)20-13/h8,10,24H,6-7,9H2,1-5H3,(H,19,25).

What are the key properties of 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54735126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).