4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane

C33H43F2N7O7S2 — CID 157448301

About 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane

4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane (PubChem CID 157448301) has the molecular formula C33H43F2N7O7S2 and a molecular weight of 751.88 g/mol. Its IUPAC name is 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane.

Molecular Properties

• Compound Name: 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane
• PubChem CID: 157448301
• Molecular Formula: C33H43F2N7O7S2
• Molecular Weight: 751.88 g/mol
• Exact Mass: 751.26
• IUPAC Name: 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane
• SMILES: C.CCSc1ncc(C(=O)N(C)OC)c(N)n1.CCSc1ncc(C(=O)c2c(F)cc(OC)cc2OC)c(N)n1.COc1cc(F)cc(OC)c1
• InChI: InChI=1S/C15H16FN3O3S.C9H14N4O2S.C8H9FO2.CH4/c1-4-23-15-18-7-9(14(17)19-15)13(20)12-10(16)5-8(21-2)6-11(12)22-3;1-4-16-9-11-5-6(7(10)12-9)8(14)13(2)15-3;1-10-7-3-6(9)4-8(5-7)11-2;/h5-7H,4H2,1-3H3,(H2,17,18,19);5H,4H2,1-3H3,(H2,10,11,12);3-5H,1-2H3;1H4
• InChIKey: BSMKFMPJUNPNRK-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 187.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.88
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane?

The IUPAC name of 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane (CID 157448301) is 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane.

What is the SMILES notation for 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane?

The canonical SMILES for 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane is C.CCSc1ncc(C(=O)N(C)OC)c(N)n1.CCSc1ncc(C(=O)c2c(F)cc(OC)cc2OC)c(N)n1.COc1cc(F)cc(OC)c1.

What is the InChIKey of 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane?

The InChIKey is BSMKFMPJUNPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S.C9H14N4O2S.C8H9FO2.CH4/c1-4-23-15-18-7-9(14(17)19-15)13(20)12-10(16)5-8(21-2)6-11(12)22-3;1-4-16-9-11-5-6(7(10)12-9)8(14)13(2)15-3;1-10-7-3-6(9)4-8(5-7)11-2;/h5-7H,4H2,1-3H3,(H2,17,18,19);5H,4H2,1-3H3,(H2,10,11,12);3-5H,1-2H3;1H4.

What are the key properties of 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane?

4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane has a molecular weight of 751.88 g/mol, XLogP of 5.84, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane is sourced from PubChem (CID 157448301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).