2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide

C27H31F2N5O4 — CID 169167863

About 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide

2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide (PubChem CID 169167863) has the molecular formula C27H31F2N5O4 and a molecular weight of 527.57 g/mol. Its IUPAC name is 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide
• PubChem CID: 169167863
• Molecular Formula: C27H31F2N5O4
• Molecular Weight: 527.57 g/mol
• Exact Mass: 527.23
• IUPAC Name: 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide
• SMILES: CC(C)N(CC(=O)c1c(N)n(Cc2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O)CC(=O)N(C)C
• InChI: InChI=1S/C27H31F2N5O4/c1-17(2)32(16-23(36)31(3)4)15-22(35)24-25(30)33(13-18-5-9-20(28)10-6-18)27(38)34(26(24)37)14-19-7-11-21(29)12-8-19/h5-12,17H,13-16,30H2,1-4H3
• InChIKey: OWUZGBCWXQIHJG-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 110.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.57
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide (CID 169167863) is 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide is CC(C)N(CC(=O)c1c(N)n(Cc2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O)CC(=O)N(C)C.

What is the InChIKey of 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide?

The InChIKey is OWUZGBCWXQIHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O4/c1-17(2)32(16-23(36)31(3)4)15-22(35)24-25(30)33(13-18-5-9-20(28)10-6-18)27(38)34(26(24)37)14-19-7-11-21(29)12-8-19/h5-12,17H,13-16,30H2,1-4H3.

What are the key properties of 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide?

2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide has a molecular weight of 527.57 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-amino-1,3-bis[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 169167863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).