6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one

C17H20F2N4O3 — CID 166896590

IUPAC6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one
SMILESC=N/C(N)=C\C1=C(C)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N1C
InChIInChI=1S/C17H20F2N4O3/c1-9-8-23(17(24)22(3)10(9)6-13(20)21-2)16-14(18)11(25-4)7-12(26-5)15(16)19/h6-7H,2,8,20H2,1,3-5H3/b13-6-
InChIKeyAOYYKZNQFMHAQA-MLPAPPSSSA-N
MW366.37 g/mol
LogP2.63
Rot. Bonds5

About 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one

6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one (PubChem CID 166896590) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one
PubChem CID166896590
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one
SMILESC=N/C(N)=C\C1=C(C)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N1C
InChIInChI=1S/C17H20F2N4O3/c1-9-8-23(17(24)22(3)10(9)6-13(20)21-2)16-14(18)11(25-4)7-12(26-5)15(16)19/h6-7H,2,8,20H2,1,3-5H3/b13-6-
InChIKeyAOYYKZNQFMHAQA-MLPAPPSSSA-N
XLogP2.63
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 655891
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CID 22430493
3-(3,5-Dimethoxyphenyl)-1-[2-(4-propylpiperazin-1-YL)ethyl]urea
CID 16014653
N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 45924659
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 45925068
4-((3-(3,5-dimethoxyphenyl)ureido)methyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 49693157
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,11,13-triaza-7-azoniatricyclo[7.4.0.02,6]trideca-1,3,5,7,9-pentaen-12-one
CID 164890182
1-(3,5-Dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 433473
1-(2,4-Difluorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 971111
3-(3,5-Dimethoxyphenyl)-1-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 45889024
3-(3,5-Dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 71796150
3-(3,5-Dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)urea
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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one?
The IUPAC name of 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one (CID 166896590) is 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one.
What is the SMILES notation for 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one?
The canonical SMILES for 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one is C=N/C(N)=C\C1=C(C)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N1C.
What is the InChIKey of 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one?
The InChIKey is AOYYKZNQFMHAQA-MLPAPPSSSA-N. The full InChI is InChI=1S/C17H20F2N4O3/c1-9-8-23(17(24)22(3)10(9)6-13(20)21-2)16-14(18)11(25-4)7-12(26-5)15(16)19/h6-7H,2,8,20H2,1,3-5H3/b13-6-.
What are the key properties of 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one?
6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one has a molecular weight of 366.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one is sourced from PubChem (CID 166896590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).