N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C25H32FN5O5 — CID 143149763

About N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 143149763) has the molecular formula C25H32FN5O5 and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
• PubChem CID: 143149763
• Molecular Formula: C25H32FN5O5
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.24
• IUPAC Name: N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
• SMILES: CN(C)CC[C@H]1CCC(=O)N1c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
• InChI: InChI=1S/C25H32FN5O5/c1-25(2)24-28-20(21(33)23(35)30(24)11-12-36-25)22(34)27-14-15-5-6-16(26)13-18(15)31-17(7-8-19(31)32)9-10-29(3)4/h5-6,13,17,33H,7-12,14H2,1-4H3,(H,27,34)/t17-/m1/s1
• InChIKey: FYJLGIKQMBCHLP-QGZVFWFLSA-N
• XLogP: 1.73
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 143149763) is N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

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

The canonical SMILES for N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CN(C)CC[C@H]1CCC(=O)N1c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.

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

The InChIKey is FYJLGIKQMBCHLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H32FN5O5/c1-25(2)24-28-20(21(33)23(35)30(24)11-12-36-25)22(34)27-14-15-5-6-16(26)13-18(15)31-17(7-8-19(31)32)9-10-29(3)4/h5-6,13,17,33H,7-12,14H2,1-4H3,(H,27,34)/t17-/m1/s1.

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

N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 143149763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).