1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide

C32H40F2N10O6 — CID 158897062

IUPAC1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCOC(OC)N(C)C.COc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1.COc1ccc(C=NOc2ncc(F)c(N)n2)cc1
InChIInChI=1S/C15H16FN5O2.C12H11FN4O2.C5H13NO2/c1-21(2)10-18-14-13(16)9-17-15(20-14)23-19-8-11-4-6-12(22-3)7-5-11;1-18-9-4-2-8(3-5-9)6-16-19-12-15-7-10(13)11(14)17-12;1-6(2)5(7-3)8-4/h4-10H,1-3H3;2-7H,1H3,(H2,14,15,17);5H,1-4H3/b18-10+,19-8?;;
InChIKeyJEYSUSORVFQYDX-QAZVRHGZSA-N
MW698.73 g/mol
LogP4.00
Rot. Bonds13

About 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide

1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 158897062) has the molecular formula C32H40F2N10O6 and a molecular weight of 698.73 g/mol. Its IUPAC name is 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound Name1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID158897062
Molecular FormulaC32H40F2N10O6
Molecular Weight698.73 g/mol
Exact Mass698.31
IUPAC Name1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCOC(OC)N(C)C.COc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1.COc1ccc(C=NOc2ncc(F)c(N)n2)cc1
InChIInChI=1S/C15H16FN5O2.C12H11FN4O2.C5H13NO2/c1-21(2)10-18-14-13(16)9-17-15(20-14)23-19-8-11-4-6-12(22-3)7-5-11;1-18-9-4-2-8(3-5-9)6-16-19-12-15-7-10(13)11(14)17-12;1-6(2)5(7-3)8-4/h4-10H,1-3H3;2-7H,1H3,(H2,14,15,17);5H,1-4H3/b18-10+,19-8?;;
InChIKeyJEYSUSORVFQYDX-QAZVRHGZSA-N
XLogP4.00
TPSA176.52 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 158897062) is 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is COC(OC)N(C)C.COc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1.COc1ccc(C=NOc2ncc(F)c(N)n2)cc1.
What is the InChIKey of 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is JEYSUSORVFQYDX-QAZVRHGZSA-N. The full InChI is InChI=1S/C15H16FN5O2.C12H11FN4O2.C5H13NO2/c1-21(2)10-18-14-13(16)9-17-15(20-14)23-19-8-11-4-6-12(22-3)7-5-11;1-18-9-4-2-8(3-5-9)6-16-19-12-15-7-10(13)11(14)17-12;1-6(2)5(7-3)8-4/h4-10H,1-3H3;2-7H,1H3,(H2,14,15,17);5H,1-4H3/b18-10+,19-8?;;.
What are the key properties of 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 698.73 g/mol, XLogP of 4.00, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 158897062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).